SCHEMBL15740410

SCHEMBL15740410

Clc1ccc(Br)c(OCCBr)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
S1PR4 O95977 5/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 4/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 1/20 0.36

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
SCHEMBL30236658 1.00 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL29559882 0.85 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL22866816 0.85 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL5972769 0.83 MAPT (0.47) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL21930097 0.83 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL18704585 0.81 KDM4E (0.46) SMN1; SMN2MEN1KMT2ARAB9ATDP1
SCHEMBL16555251 0.81 SLC6A4 (0.49) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL1702264 0.80 MAPK1 (0.40) SMN1; SMN2MEN1KMT2AMAPTTDP1
SCHEMBL29581989 0.80 MAPK1 (0.40) SMN1; SMN2MEN1KMT2AMAPTTDP1
SCHEMBL31641561 0.79 HTR7 (0.60) SMN1; SMN2MAPTALDH1A1KDM4ECYP1A2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12552793-B2 Purine derivative and medical use thereof KANGBAIDA (SICHUAN) BIOTECHNOLOGY CO., LTD. (CN) 2026-02-17 US disclosed
CN-113121538-B Furan derivative and application thereof in medicine 成都百裕制药股份有限公司 2023-04-21 CN disclosed
CN-113121574-B Purine derivatives and their use in medicine 成都百裕制药股份有限公司 2023-02-17 CN disclosed
US-20220402920-A1 PURINE DERIVATIVE AND MEDICAL USE THEREOF KANGBAIDA (SICHUAN) BIOTECHNOLOGY CO., LTD. (CN) 2022-12-22 US disclosed
EP-4086258-A1 PURINE DERIVATIVE AND MEDICAL USE THEREOF Chengdu Baiyu Pharmaceutical Co., Ltd. (CN) 2022-11-09 EP disclosed
CN-113121574-A Purine derivatives and their use in medicine 成都百裕制药股份有限公司 2021-07-16 CN disclosed
CN-113121538-A Furan derivative and application thereof in medicine 成都百裕制药股份有限公司 2021-07-16 CN disclosed
WO-2021136462-A1 FURAN DERIVATIVES AND APPLICATION THEREOF IN MEDICINE 成都百裕制药股份有限公司 2021-07-08 WO disclosed
WO-2021136462-A1 FURAN DERIVATIVES AND APPLICATION THEREOF IN MEDICINE 成都百裕制药股份有限公司 2021-07-08 WO disclosed
WO-2021136463-A1 PURINE DERIVATIVE AND MEDICAL USE THEREOF 成都百裕制药股份有限公司 2021-07-08 WO disclosed
WO-2021136463-A1 PURINE DERIVATIVE AND MEDICAL USE THEREOF 成都百裕制药股份有限公司 2021-07-08 WO disclosed
US-9499497-B2 Compounds useful as inhibitors of indoleamine 2,3-dioxygenase VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-22 US disclosed
US-20150336903-A1 COMPOUNDS USEFUL AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-11-26 US disclosed
EP-2922847-A1 COMPOUNDS USEFUL AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE Vertex Pharmaceuticals Incorporated (US) 2015-09-30 EP disclosed
US-9073875-B2 Compounds useful as inhibitors of indoleamine 2,3-dioxygenase VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-07-07 US disclosed
US-20140179699-A1 COMPOUNDS USEFUL AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE VERTEX PHARMACEUTICALS INCORPORATED 2014-06-26 US disclosed
WO-2014081689-A1 COMPOUNDS USEFUL AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-30 WO 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-12552793-B2 Purine derivative and medical use thereof PNP, CYP2D6, ADORA1 SMN1; SMN2 1836/4885MEN1 2621/4885KMT2A 2837/4885
US-20150336903-A1 COMPOUNDS USEFUL AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT SMN1; SMN2 3267/4885MEN1 954/4885KMT2A 518/4885
US-20140179699-A1 COMPOUNDS USEFUL AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT SMN1; SMN2 3267/4885MEN1 954/4885KMT2A 518/4885
US-20220402920-A1 PURINE DERIVATIVE AND MEDICAL USE THEREOF DPYD, PNP, TYMP SMN1; SMN2 2924/4885MEN1 2738/4885KMT2A 2360/4885

“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.