SCHEMBL24916

SCHEMBL24916

COc1c(F)cccc1C(=O)Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
ALOX15 P16050 1/20 0.57
KMT2A Q03164 3/20 0.43
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
BCHE P06276 1/20 0.42
KRAS P01116 2/20 0.41
RAB9A P51151 2/20 0.41
ALB P02768 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
HCRTR2 O43614 3/20 0.40
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
LCLAT1 Q6UWP7 1/20 0.38

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
SCHEMBL30214455 0.88 ALDH1A1 (0.52) ALDH1A1ALOX15KMT2ANPC1SMN1; SMN2
SCHEMBL699716 0.86 ALDH1A1 (0.45) ALDH1A1ALOX15KMT2ANPC1SMN1; SMN2
SCHEMBL28266600 0.85 CES2 (0.45) ALDH1A1ALOX15KMT2ANPC1SMN1; SMN2
SCHEMBL184046 0.83 ALB (0.55) ALDH1A1ALOX15KMT2ANPC1SMN1; SMN2
SCHEMBL29933044 0.83 ALB (0.55) ALDH1A1ALOX15KMT2ANPC1SMN1; SMN2
SCHEMBL1261333 0.83 KMT2A (0.50) ALDH1A1ALOX15KMT2ANPC1SMN1; SMN2
SCHEMBL3383096 0.82 ALDH1A1 (0.53) ALDH1A1ALOX15KMT2ASMN1; SMN2CES2
SCHEMBL528652 0.81 LMNA (0.43) ALDH1A1KMT2ANPC1SMN1; SMN2CES2
SCHEMBL5444249 0.81 TSHR (0.48) ALDH1A1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL7666396 0.81 ALDH1A1 (0.49) ALDH1A1ALOX15KMT2ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483423-A P2X4 receptor antagonist NIPPON CHEMIPHAR CO 2019-11-22 CN disclosed
CN-110300579-A Sulfamoyl aryl derivatives and its purposes for being used to treat liver fibrosis as drug 詹森药业有限公司 2019-10-01 CN disclosed
US-10385060-B2 Piperidine derivative and preparation method and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-08-20 US disclosed
CN-107406457-B Piperidine derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2019-02-01 CN disclosed
CN-108863959-A P2X4 RECEPTOR ANTAGONIST 日本化学药品株式会社 2018-11-23 CN disclosed
US-20180298020-A1 Piperidine Derivative and Preparation Method and Pharmaceutical Use Thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2018-10-18 US disclosed
US-10087191-B2 Piperidine derivative and preparation method and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-10-02 US disclosed
CN-108473481-A compounds useful as kinase inhibitors 洛克索肿瘤学股份有限公司 2018-08-31 CN disclosed
CN-108431007-A PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER 洛克索肿瘤学股份有限公司 2018-08-21 CN disclosed
US-20180170943-A1 PIPERIDINE DERIVATIVE AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-06-21 US disclosed
WO-2006066070-A2 PRODRUG CONSTRUCTS OF PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2006-06-22 WO disclosed
CN-1656061-A Organic compounds NOVARTIS AG (CH) 2005-08-17 CN disclosed
CN-1602296-A Amidoacetonitrile derivatives NOVARTIS AG (CH) 2005-03-30 CN disclosed
EP-0266980-B1 PHARMACEUTICAL COMPOSITIONS, COMPRISING A 2,4-DIPHENYL-1,3-DIOXANE DERIVATIVE AND AN INHIBITOR OF THROMBOXANE A2 SYNTHESIS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-10-28 EP disclosed
EP-0201354-B1 2,4-DIPHENYL-1,3-DIOXANES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-09-19 EP disclosed
US-4908380-A Substituted 1,3-dioxane ether derivative; thromboxane A2 inhibitor IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-03-13 US disclosed
US-4895962-A THROMBOXANE A2 ANTAGONISTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-23 US disclosed
US-4775685-A THROMBOXANE A-2 ANTAGONISTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-10-04 US disclosed
EP-0266980-A2 Pharmaceutical compositions, comprising a 2,4-diphenyl-1,3-dioxane derivative and an inhibitor of thromboxane A2 synthesis IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-05-11 EP disclosed
EP-0201354-A2 2,4-Diphenyl-1,3-Dioxanes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-11-12 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-10385060-B2 Piperidine derivative and preparation method and pharmaceutical use thereof GPER1, CYP19A1, PGR ALDH1A1 195/4885ALOX15 1572/4885KMT2A 1991/4885
US-10087191-B2 Piperidine derivative and preparation method and pharmaceutical use thereof GPER1, CYP19A1, PGR ALDH1A1 195/4885ALOX15 1572/4885KMT2A 1991/4885
US-20180170943-A1 PIPERIDINE DERIVATIVE AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF GPER1, CYP19A1, PGR ALDH1A1 195/4885ALOX15 1572/4885KMT2A 1991/4885
US-20180298020-A1 Piperidine Derivative and Preparation Method and Pharmaceutical Use Thereof GPER1, CYP19A1, PGR ALDH1A1 195/4885ALOX15 1572/4885KMT2A 1991/4885

“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.