SCHEMBL5824686

SCHEMBL5824686

O=C(N=C=S)c1ccccc1Br

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
ELANE P08246 1/20 0.38
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL28839956 0.86 ALDH1A1 (0.40) ALDH1A1POLBNPC1SMN1; SMN2HPGD
SCHEMBL29770965 0.86 ALDH1A1 (0.40) ALDH1A1POLBNPC1SMN1; SMN2HPGD
SCHEMBL7753673 0.82 KMT2A (0.41) ALDH1A1KMT2AMEN1POLBNPC1
SCHEMBL7238060 0.78 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1POLBNPC1
SCHEMBL3048180 0.77 CES2 (0.52) ALDH1A1KMT2AMEN1POLBNPC1
SCHEMBL1135687 0.77 HPGD (0.42) KMT2APOLBNPC1RAB9ASMN1; SMN2
SCHEMBL5825234 0.77 CES2 (0.52) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL5824464 0.77 MEN1 (0.42) ALDH1A1KMT2AMEN1HPGDKDM4E
SCHEMBL13739757 0.75 KMT2A (0.44) ALDH1A1KMT2AMEN1POLBNPC1
SCHEMBL11387114 0.74 NR4A1 (0.53) ALDH1A1KMT2AMEN1POLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376452-B2 Rab7 GTPase inhibitors and related methods of treatment ST. UNM (US) 2016-06-28 US disclosed
US-20140248268-A1 Rab7 GTPase Inhibitors and Related Methods of Treatment THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2014-09-04 US disclosed
US-8765803-B1 Rab7 GTPase inhibitors and related methods of treatment STC.UNM (US) 2014-07-01 US disclosed
US-7135466-B2 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-14 US disclosed
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-07-08 US disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 EP disclosed
US-4774260-A INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1988-09-27 US disclosed
EP-0122449-B1 BENZOYL UREAS BAYER AG (DE) 1987-06-03 EP disclosed
EP-0122449-A1 Benzoyl ureas BAYER AG (DE) 1984-10-24 EP 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-20140248268-A1 Rab7 GTPase Inhibitors and Related Methods of Treatment RAB7A, RAB5B, RAB1A ALDH1A1 4235/4885KMT2A 4280/4885MEN1 2441/4885
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA ALDH1A1 2003/4885KMT2A 2022/4885MEN1 3835/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA ALDH1A1 2059/4885KMT2A 2006/4885MEN1 4168/4885

“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.