SCHEMBL2848211

SCHEMBL2848211

Cc1ccccc1Oc1ccccc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
TSHR P16473 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 2/20 0.46
AR P10275 3/20 0.42
HTR7 P34969 1/20 0.41
ACHE P22303 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CYP1A2 P05177 3/20 0.39
HPGD P15428 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2C9 P11712 2/20 0.39
LCK P06239 1/20 0.38
L3MBTL1 Q9Y468 2/20 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
SCHEMBL127000 0.85 TSHR (0.65) ALDH1A1TSHRSMN1; SMN2MEN1NPC1
SCHEMBL29637724 0.85 TSHR (0.65) ALDH1A1TSHRSMN1; SMN2MEN1NPC1
SCHEMBL727333 0.85 ALDH1A1 (0.48) ALDH1A1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL3842507 0.83 MAPK1 (0.46) ALDH1A1TSHRSMN1; SMN2NPC1RAB9A
Fluoride SCHEMBL27757467 0.83 TSHR (0.62) ALDH1A1TSHRSMN1; SMN2MEN1NPC1
Phosphine SCHEMBL22634020 0.83 TSHR (0.62) ALDH1A1TSHRSMN1; SMN2MEN1NPC1
SCHEMBL28342363 0.83 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2MEN1NPC1
SCHEMBL4701431 0.82 L3MBTL1 (0.50) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL31448640 0.82 ALDH1A1 (0.45) ALDH1A1TSHRSMN1; SMN2MEN1NPC1
SCHEMBL31448448 0.81 ALDH1A1 (0.43) ALDH1A1TSHRSMN1; SMN2MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO claimed
EP-3227269-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-02-26 EP disclosed
CN-106458914-B Heterocyclic compounds as AXL inhibitors 常州捷凯医药科技有限公司 2020-01-14 CN disclosed
US-20170137426-A1 HETEROCYCLIC COMPOUNDS AS AXL INHIBITORS CHANGZHOU JIEKAI PHARMATECH CO., LTD. (CN) 2017-05-18 US disclosed
US-20170137426-A1 HETEROCYCLIC COMPOUNDS AS AXL INHIBITORS CHANGZHOU JIEKAI PHARMATECH CO., LTD. (CN) 2017-05-18 US disclosed
US-20170137426-A1 HETEROCYCLIC COMPOUNDS AS AXL INHIBITORS CHANGZHOU JIEKAI PHARMATECH CO., LTD. (CN) 2017-05-18 US disclosed
WO-2015143692-A1 HETEROCYCLIC COMPOUNDS AS AXL INHIBITORS CHANGZHOU JIEKAI PHARMATECH CO., LTD. (CN) 2015-10-01 WO disclosed
US-20100317697-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20100179109-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-15 US disclosed
US-20100130471-A1 Renin Inhibitors SMITHKLINE BEECHAM CORPORATION 2010-05-27 US disclosed
EP-2167609-A1 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2010-03-31 EP disclosed
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
WO-2009096996-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-08-06 WO disclosed
EP-2010488-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2009-01-07 EP disclosed
WO-2008124575-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO disclosed
WO-2008124582-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO disclosed
WO-2007117559-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 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 (6 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-20100179109-A1 RENIN INHIBITORS REN, ACE, AGTR1 ALDH1A1 1625/4885TSHR 2126/4885SMN1; SMN2 4034/4885
US-20170137426-A1 HETEROCYCLIC COMPOUNDS AS AXL INHIBITORS AXL, FLT3, MERTK ALDH1A1 3773/4885TSHR 208/4885SMN1; SMN2 1298/4885
US-20090275581-A1 RENIN INHIBITORS REN, ACE, SERPINB1 ALDH1A1 1084/4885TSHR 3514/4885SMN1; SMN2 3061/4885
US-20100317697-A1 Renin Inhibitors REN, ACE, SERPINB1 ALDH1A1 1056/4885TSHR 2555/4885SMN1; SMN2 3337/4885
US-20090264428-A1 Renin Inhibitors REN, ACE, SERPINB1 ALDH1A1 1060/4885TSHR 3978/4885SMN1; SMN2 1848/4885
US-20100130471-A1 Renin Inhibitors ACE, REN, DNPEP ALDH1A1 2221/4885TSHR 3864/4885SMN1; SMN2 1943/4885

“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.