SCHEMBL1122533

SCHEMBL1122533

O=C(NC(=S)Nc1ccc2[nH]ccc2c1)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.76
RAB9A P51151 8/20 0.76
MAPT P10636 3/20 0.76
MAOA P21397 5/20 0.69
MAOB P27338 5/20 0.69
ALDH1A1 P00352 5/20 0.67
HPGD P15428 2/20 0.67
ALOX12 P18054 2/20 0.67
SMN1; SMN2 Q16637 3/20 0.60
EPHX1 P07099 1/20 0.58
NPSR1 Q6W5P4 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56

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
SCHEMBL3053780 0.87 SMN1; SMN2 (0.62) NPC1RAB9AMAPTALDH1A1HPGD
SCHEMBL31156451 0.86 NPC1 (1.00) NPC1RAB9AMAPTMAOAMAOB
SCHEMBL4761937 0.86 NPC1 (1.00) NPC1RAB9AMAPTMAOAMAOB
SCHEMBL5713502 0.81 NPC1 (0.72) NPC1RAB9AMAPTALDH1A1HPGD
SCHEMBL5818769 0.80 NPC1 (1.00) NPC1RAB9AMAPTALDH1A1HPGD
SCHEMBL31668680 0.79 MAOB (0.88) NPC1RAB9AMAPTMAOAMAOB
SCHEMBL3054874 0.77 SMN1; SMN2 (0.62) NPC1RAB9AMAPTALDH1A1HPGD
SCHEMBL6166855 0.76 MAOA (0.73) NPC1RAB9AMAPTMAOAMAOB
SCHEMBL4347943 0.76 NPC1 (0.69) NPC1RAB9AMAPTMAOAMAOB
N-(Phenylcarbamothioyl)Benzamide SCHEMBL2341910 0.75 EPHX1 (1.00) NPC1RAB9AALDH1A1HPGDALOX12

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3708164-A1 COMPOUNDS FOR TREATMENT OF CANCER Oncternal Therapeutics, Inc (US) 2020-09-16 EP disclosed
EP-3708164-A1 COMPOUNDS FOR TREATMENT OF CANCER Oncternal Therapeutics, Inc (US) 2020-09-16 EP disclosed
EP-3139919-B1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS INC (US) 2020-06-03 EP disclosed
EP-3139919-B1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS INC (US) 2020-06-03 EP disclosed
US-10155728-B2 Compounds for treatment of cancer GTX INC. (US) 2018-12-18 US disclosed
US-9981915-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2018-05-29 US disclosed
US-20180118693-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2018-05-03 US disclosed
EP-3139919-A1 COMPOUNDS FOR TREATMENT OF CANCER Gtx, Inc. (US) 2017-03-15 EP disclosed
US-20170057930-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2017-03-02 US disclosed
US-20170057930-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2017-03-02 US disclosed
US-7375219-B2 Substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2008-05-20 US disclosed
US-7375219-B2 Substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2008-05-20 US disclosed
EP-1883451-A2 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2008-02-06 EP disclosed
WO-2007063418-A2 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2007-06-07 WO disclosed
WO-2007063418-A2 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2007-06-07 WO disclosed
US-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NEURAXON INC. (CA) 2006-11-16 US disclosed
EP-0619805-B1 5-(HETERO- OR CARBOCYCLYLAMINO)-INDOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT1 AGONISTS PFIZER (US) 2000-03-15 EP disclosed
US-5639752-A SEROTONIN AGONIST PFIZER INC (US) 1997-06-17 US disclosed
EP-0619805-A1 INDOLE DERIVATIVES PFIZER HOSPITAL PRODUCTS, INC. (US) 1994-10-19 EP disclosed
WO-1993011106-A1 INDOLE DERIVATIVES PFIZER, INC. (US) 1993-06-10 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-10155728-B2 Compounds for treatment of cancer TP53, TUBB1, TUBB6 NPC1 269/4885RAB9A 2957/4885MAPT 699/4885
US-20180118693-A1 COMPOUNDS FOR TREATMENT OF CANCER TP53, TUBB1, TUBB6 NPC1 269/4885RAB9A 2957/4885MAPT 699/4885
US-20170057930-A1 COMPOUNDS FOR TREATMENT OF CANCER TP53, TUBB1, TUBB6 NPC1 269/4885RAB9A 2957/4885MAPT 699/4885
US-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NOS2, NOS1, NOS3 NPC1 906/4885RAB9A 3399/4885MAPT 1340/4885

“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.