SCHEMBL3045441

SCHEMBL3045441

Nc1cc[c]c(C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 4/20 0.41
TDP1 Q9NUW8 4/20 0.41
MAPT P10636 3/20 0.41
THRB P10828 2/20 0.41
RECQL P46063 2/20 0.41
CYP3A4 P08684 2/20 0.41
MCL1 Q07820 2/20 0.41
POLB P06746 2/20 0.41
USP2 O75604 1/20 0.41
PKM P14618 1/20 0.41
APEX1 P27695 1/20 0.41
BLM P54132 1/20 0.41
TNF P01375 1/20 0.41
HSPD1 P10809 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27914228 0.84 MAPT (0.34) KDM4EKMT2AALDH1A1MEN1TDP1
SCHEMBL6170690 0.81 ALDH1A1 (0.36) KDM4EKMT2AALDH1A1MEN1TDP1
SCHEMBL5139894 0.79 PBRM1 (0.55) KMT2AALDH1A1MEN1TDP1MAPT
SCHEMBL11085145 0.76 GAA (0.47) KDM4EALDH1A1TDP1MAPTHPGD
SCHEMBL9010259 0.76 CES1 (0.35) POLBGAAGLA
SCHEMBL490251 0.76 KDM4E (0.42) KDM4EALDH1A1TDP1MAPTPOLB
SCHEMBL5857066 0.76 KDM4E (0.42) KDM4EALDH1A1TDP1MAPTPOLB
SCHEMBL4626841 0.75 PARP1 (0.41) TDP1MAPTRECQLCYP3A4POLB
SCHEMBL14862218 0.75 HDAC2 (0.43) KDM4EKMT2AALDH1A1MEN1PKM
SCHEMBL4023724 0.74 KDM4E (0.39) KDM4EKMT2AALDH1A1MEN1MCL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153688-A1 HYDRAZONE AMIDE DERIVATIVES AND USE THEREOF IN PREPARATION OF ANTI-OSTEOPOROSIS DRUGS SHENZHEN CELL INSPIRE PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2022-05-19 US claimed
US-20220153713-A1 HYDRAZONE AMIDE DERIVATIVE AND APPLICATION THEREOF IN PREPARATION OF MEDICAMENTS FOR PREVENTING AND TREATING ALOPECIA SHENZHEN CELL INSPIRE PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2022-05-19 US claimed
EP-3992184-A1 HYDRAZONE AMIDE DERIVATIVES AND USE THEREOF IN PREPARATION OF ANTI-OSTEOPOROSIS DRUGS Shenzhen Cell Inspire Pharmaceutical Development Co., Ltd. (CN) 2022-05-04 EP claimed
EP-3992185-A1 HYDRAZONE AMIDE DERIVATIVE AND APPLICATION THEREOF IN PREPARATION OF MEDICAMENTS FOR PREVENTING AND TREATING ALOPECIA Shenzhen Cell Inspire Pharmaceutical Development Co., Ltd. (CN) 2022-05-04 EP claimed
CN-113105411-A Hydrazone amide derivatives and pharmaceutical compositions 深圳市三启药物开发有限公司 2021-07-13 CN claimed
CN-110330465-A Hydrazone amide derivatives and its application in preparation prevention and treatment alopecia agent 深圳市三启药物开发有限公司 2019-10-15 CN claimed
CN-110229118-A Hydrazone amide derivatives and its preparing the application in osteosporosis resistant medicament 深圳市三启药物开发有限公司 2019-09-13 CN claimed
US-20110294853-A1 Bis Aromatic Compounds for Use in the Treatment of Inflammation BIOLIPOX AB (SE) 2011-12-01 US claimed
US-7481522-B2 Compositions and inks containing disazo dyes FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-01-27 US claimed
EP-1633716-A4 BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-03-26 EP claimed
US-7129264-B2 Biarylmethyl indolines and indoles as antithromboembolic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-31 US claimed
EP-1633716-A2 BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-03-15 EP claimed
WO-2004094372-A2 COMPOUNDS USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO claimed
US-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-04 US claimed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP claimed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 EP claimed
US-20220153688-A1 HYDRAZONE AMIDE DERIVATIVES AND USE THEREOF IN PREPARATION OF ANTI-OSTEOPOROSIS DRUGS SHENZHEN CELL INSPIRE PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2022-05-19 US disclosed
US-20220153713-A1 HYDRAZONE AMIDE DERIVATIVE AND APPLICATION THEREOF IN PREPARATION OF MEDICAMENTS FOR PREVENTING AND TREATING ALOPECIA SHENZHEN CELL INSPIRE PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2022-05-19 US disclosed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP disclosed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors TFPI, TFPI2, F2 KDM4E 1323/4885KMT2A 458/4885ALDH1A1 2594/4885
US-20110294853-A1 Bis Aromatic Compounds for Use in the Treatment of Inflammation LTC4S, LTB4R2, LTB4R KDM4E 3299/4885KMT2A 3724/4885ALDH1A1 663/4885
US-20220153688-A1 HYDRAZONE AMIDE DERIVATIVES AND USE THEREOF IN PREPARATION OF ANTI-OSTEOPOROSIS DRUGS SOST, HDAC5, PTH1R KDM4E 527/4885KMT2A 796/4885ALDH1A1 644/4885
US-20220153713-A1 HYDRAZONE AMIDE DERIVATIVE AND APPLICATION THEREOF IN PREPARATION OF MEDICAMENTS FOR PREVENTING AND TREATING ALOPECIA FH, HDGF, HRH4 KDM4E 963/4885KMT2A 1019/4885ALDH1A1 652/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.