SCHEMBL4994029

SCHEMBL4994029

Fc1cc(F)c2n[c]sc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 4/20 0.41
PKM P14618 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 6/20 0.37
HPGD P15428 1/20 0.36
HTT P42858 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MCL1 Q07820 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 2/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL558291 0.71 SMN1; SMN2 (0.44) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL206753 0.67 GFER (0.44) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL3038576 0.67
SCHEMBL22142676 0.64 RAB9A (0.42) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL10821144 0.62 HSD17B10 (0.44) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL8390408 0.62 NQO2 (0.33) RAB9AALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL6654981 0.62
SCHEMBL5000270 0.62 ALDH1A1 (0.44) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL19783572 0.62 RAB9A (0.62) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL13439534 0.62 RAB9A (0.51) RAB9AALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470701-B2 Substituted 2,5-heterocyclic derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 US claimed
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-10-16 US claimed
EP-1732919-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2006-12-20 EP claimed
US-20050256121-A1 e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma CHIRON CORPORATION (US) 2005-11-17 US claimed
WO-2005095386-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2005-10-13 WO claimed
EP-3057957-B1 CYCLOPENTYLBENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PSYCHOTIC AND COGNITIVE DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2018-01-03 EP disclosed
US-9493432-B2 Cyclopentylbenzamide derivatives and their use for the treatment of psychotic and cognitive disorders TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2016-11-15 US disclosed
EP-3057957-A1 CYCLOPENTYLBENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PSYCHOTIC AND COGNITIVE DISORDERS Takeda Pharmaceutical Company Limited (JP) 2016-08-24 EP disclosed
US-20160222030-A1 Cyclopentylbenzamide Derivatives and their Use for the Treatment of Psychotic and Cognitive Disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-04 US disclosed
WO-2015055994-A1 CYCLOPENTYLBENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PSYCHOTIC AND COGNITIVE DISORDERS TAKEDA CAMBRIDGE LIMITED (GB) 2015-04-23 WO disclosed
US-7470701-B2 Substituted 2,5-heterocyclic derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 US disclosed
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-10-16 US disclosed
EP-1732919-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2006-12-20 EP disclosed
US-20050256121-A1 e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma CHIRON CORPORATION (US) 2005-11-17 US disclosed
WO-2005095386-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2005-10-13 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 (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-20160222030-A1 Cyclopentylbenzamide Derivatives and their Use for the Treatment of Psychotic and Cognitive Disorders CNR1, GABRR1, GRIN2A RAB9A 250/4885ALDH1A1 971/4885MEN1 4694/4885
US-20050256121-A1 e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma MALT1, AKT1, PIK3CA RAB9A 712/4885ALDH1A1 2305/4885MEN1 1627/4885
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES CYP3A5, ABCG2, ABCB1 RAB9A 1057/4885ALDH1A1 297/4885MEN1 969/4885

“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.