SCHEMBL2653237

SCHEMBL2653237

O=C(NCCc1cccs1)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.76
NPC1 O15118 7/20 0.76
SMN1; SMN2 Q16637 4/20 0.76
TAAR1 Q96RJ0 2/20 0.76
HPGD P15428 1/20 0.71
LMNA P02545 2/20 0.66
MAPT P10636 2/20 0.64
ALDH1A1 P00352 1/20 0.64
BRD4 O60885 1/20 0.61
NAMPT P43490 1/20 0.60
CYP1A2 P05177 1/20 0.55
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
POLB P06746 1/20 0.54
PSMD14 O00487 1/20 0.53
STAMBP O95630 1/20 0.53
COPS5 Q92905 1/20 0.53
HSD11B1 P28845 1/20 0.51
ROCK2 O75116 1/20 0.51

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
SCHEMBL14484091 0.91 NPC1 (0.72) RAB9ANPC1SMN1; SMN2TAAR1HPGD
SCHEMBL29411040 0.89 HPGD (0.66) RAB9ANPC1SMN1; SMN2TAAR1HPGD
SCHEMBL12158613 0.86 NPC1 (1.00) RAB9ANPC1SMN1; SMN2TAAR1HPGD
SCHEMBL31396767 0.86 RAB9A (0.74) RAB9ANPC1SMN1; SMN2TAAR1HPGD
SCHEMBL2307879 0.86 RAB9A (0.74) RAB9ANPC1SMN1; SMN2TAAR1HPGD
SCHEMBL10442013 0.86 NPC1 (0.74) RAB9ANPC1SMN1; SMN2TAAR1HPGD
SCHEMBL10441846 0.86 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TAAR1HPGD
SCHEMBL10441735 0.85 NPC1 (0.72) RAB9ANPC1SMN1; SMN2TAAR1HPGD
SCHEMBL506838 0.84 NPC1 (0.71) RAB9ANPC1SMN1; SMN2TAAR1HPGD
SCHEMBL12158622 0.84 NPC1 (0.75) RAB9ANPC1SMN1; SMN2TAAR1HPGD

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-20200062776-A1 HEDGEHOG ACYLTRANSFERASE INHIBITORS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-02-27 US disclosed
US-20200062776-A1 HEDGEHOG ACYLTRANSFERASE INHIBITORS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-02-27 US disclosed
EP-3471723-A1 HEDGEHOG ACYLTRANSFERASE INHIBITORS AND USES THEREOF Memorial Sloan Kettering Cancer Center (US) 2019-04-24 EP disclosed
US-20180175309-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2018-06-21 US disclosed
US-20180175309-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2018-06-21 US disclosed
US-20160164007-A1 ORGANIC METAL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2016-06-09 US disclosed
US-20160164007-A1 ORGANIC METAL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2016-06-09 US disclosed
EP-1891069-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4,5B]PYRIDINE/ PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS AstraZeneca AB (SE) 2008-02-27 EP disclosed
US-7230020-B2 11β-hydroxysteroid dehydrogenase inhibitors STERIX LIMITED (GB) 2007-06-12 US disclosed
WO-2006125958-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4 , 5B] PYRIDINE/ PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2006-11-30 WO disclosed
EP-1675844-A1 PHENYL CARBOXAMIDE AND SULFONAMIDE DERIVATIVES FOR USE AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE Sterix Limited (GB) 2006-07-05 EP disclosed
US-7019033-B2 2-(4-bromo or 4-iodo phenylamino) benzoic acid derivatives WARNER-LAMBERT COMPANY (US) 2006-03-28 US disclosed
US-20050227987-A1 11beta-hydroxysteroid dehydrogenase inhibitors STERIX LIMITED (GB) 2005-10-13 US disclosed
WO-2005042513-A1 PHENYL CARBOXAMIDE AND SULFONAMIDE DERIVATIVES FOR USE AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE STERIX LIMITED (GB) 2005-05-12 WO disclosed
EP-0367233-A2 Process for the preparation of 2-(2-thienyl)-ethylamine and derivatives thereof OCCIDENTAL CHEMICAL CORPORATION (US) 1990-05-09 EP disclosed
EP-0348505-A1 NOVEL N-(1-THIENYLETHYL)AMINE DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS EFFECTIVE INGREDIENT DAIKIN INDUSTRIES, LIMITED (JP) 1990-01-03 EP disclosed
US-4874876-A ACYLATING THIOPHENE, REDUCING, HYDROLYZING OCCIDENTAL CHEMICAL CORPORATION (US) 1989-10-17 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 (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-20180175309-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING THE SAME C1S, C1R, C9 RAB9A 2052/4885NPC1 3536/4885SMN1; SMN2 4481/4885
US-20160164007-A1 ORGANIC METAL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING THE SAME C5, C9, C1S RAB9A 2241/4885NPC1 2159/4885SMN1; SMN2 4599/4885
US-20050227987-A1 11beta-hydroxysteroid dehydrogenase inhibitors HSD3B1, HSD3B2, HSD17B3 RAB9A 3856/4885NPC1 1239/4885SMN1; SMN2 4243/4885
US-20200062776-A1 HEDGEHOG ACYLTRANSFERASE INHIBITORS AND USES THEREOF HHAT, SHH, MBOAT1 RAB9A 1170/4885NPC1 235/4885SMN1; SMN2 4467/4885

“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.