SCHEMBL4535704

SCHEMBL4535704

N#Cc1cnc2cc(Br)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.59
HTT P42858 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGES O14684 1/20 0.39
BACE1 P56817 2/20 0.39
CDC7 O00311 1/20 0.37
BIRC5 O15392 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ALDH1A1 P00352 1/20 0.35
AHR P35869 1/20 0.35
NOS1 P29475 1/20 0.34
METAP2 P50579 1/20 0.34
DYRK1A Q13627 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL29697466 1.00 HPGDS (0.59) HPGDSHTTCYP1A2CYP2C19PTGES
SCHEMBL12850742 0.86 HPGDS (0.47) HPGDSHTTCYP1A2CYP2C19PTGES
SCHEMBL14894589 0.79 HPGDS (0.59) HPGDSHTTCYP1A2CDC7
SCHEMBL21689072 0.79 HPGDS (0.59) HPGDSHTTCDC7MAOAALDH1A1
SCHEMBL4378912 0.79 HPGDS (0.59) HPGDSHTTCDC7ALDH1A1
SCHEMBL17460812 0.79 HPGDS (0.64) HPGDSCYP1A2BACE1ALDH1A1
SCHEMBL6183990 0.79 HPGDS (0.59) HPGDSHTTCYP1A2BACE1CDC7
SCHEMBL18703847 0.78 HPGDS (0.55) HPGDSHTTCDC7ALDH1A1NOS1
SCHEMBL29788946 0.76 ALDH1A1 (0.57) HPGDSCYP1A2BIRC5ALDH1A1
Water SCHEMBL27871202 0.76 ALDH1A1 (0.57) HPGDSCYP1A2BIRC5ALDH1A1

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
US-20240092756-A1 METHODS AND COMPOSITION FOR KRAS MODIFICATIONS DUNAD THERAPEUTICS LTD. (GB) 2024-03-21 US disclosed
EP-4247787-A2 METHODS AND COMPOSITION FOR KRAS MODIFICATIONS 2692372 Ontario, Inc. (CA) 2023-09-27 EP disclosed
CN-116745264-A Methods and compositions for KRAS modification 2692372安大略公司 2023-09-12 CN disclosed
WO-2022106897-A2 METHODS AND COMPOSITION FOR KRAS MODIFICATIONS 2692372 ONTARIO, INC. (CA) 2022-05-27 WO disclosed
WO-2022106897-A2 METHODS AND COMPOSITION FOR KRAS MODIFICATIONS 2692372 ONTARIO, INC. (CA) 2022-05-27 WO disclosed
CN-108064223-B FXR (NR1H4) MODULATING COMPOUNDS CONTAINING HYDROXY GROUPS 吉利德科学公司 2021-06-01 CN disclosed
EP-3233850-B1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2019-04-03 EP disclosed
EP-3233850-B1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2019-04-03 EP disclosed
CN-108064223-A FXR (NR1H4) modulating compound of hydroxyl 吉利德科学公司 2018-05-22 CN disclosed
EP-3233850-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS Gilead Sciences, Inc. (US) 2017-10-25 EP disclosed
US-20140194415-A1 FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline Intellectual Property (No2) Limite (GB) 2014-07-10 US disclosed
EP-2744333-A1 FATTY ACID SYNTHASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-06-25 EP disclosed
WO-2014008223-A2 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-01-09 WO disclosed
WO-2013177253-A2 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-11-28 WO disclosed
EP-2637660-A1 FATTY ACID SYNTHASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-18 EP disclosed
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2013-09-12 US disclosed
WO-2013052716-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-04-11 WO disclosed
WO-2013028447-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 WO disclosed
WO-2012064642-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-05-18 WO disclosed
US-6521618-B2 Antineoplastic agents, agents for treatment of osteoporosis and polycystic kidney disease WYETH 2003-02-18 US 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 (3 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-20240092756-A1 METHODS AND COMPOSITION FOR KRAS MODIFICATIONS KRAS, NRAS, HRAS HPGDS 1264/4885HTT 1082/4885CYP1A2 4743/4885
US-20140194415-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS2, FADS1 HPGDS 168/4885HTT 4551/4885CYP1A2 288/4885
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 HPGDS 191/4885HTT 3758/4885CYP1A2 312/4885

“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.