SCHEMBL2686320

SCHEMBL2686320

CNC(=S)NCCn1c(C)nc2cc(-c3nc4ccccc4o3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ HPGD P15428 4/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ NPC1 O15118 6/20 0.42
▸ RAB9A P51151 6/20 0.42
▸ KDM4E B2RXH2 5/20 0.42
▸ HCRTR1 O43613 2/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ STAT1 P42224 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ BCHE P06276 1/20 0.41
▸ HSD17B10 Q99714 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ USP2 O75604 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40

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
SCHEMBL10219856 0.89 KDM4E (0.43) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL2688545 0.83 MAPT (0.51) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL2688624 0.82 KMT2A (0.53) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL2687585 0.82 SMN1; SMN2 (0.46) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL2686316 0.82 KDM4E (0.41) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL2688141 0.81 BRD4 (0.46) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL2686523 0.81 KDM4E (0.48) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL10219624 0.80 NPC1 (0.49) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL2688713 0.80 NPC1 (0.44) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL2687005 0.79 KDM4E (0.47) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829035-B2 Agent for treatment or prevention of diseases associated with activity of neurotrophic factors SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-09 — — US disclosed
US-8829035-B2 Agent for treatment or prevention of diseases associated with activity of neurotrophic factors SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-09 — — US disclosed
EP-2436683-B1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS SUMITOMO CHEMICAL CO (JP) 2014-05-14 — — EP disclosed
US-20120115856-A1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-10 — — US disclosed
US-20120115856-A1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-10 — — US disclosed
WO-2010137349-A1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS 住友化学株式会社 (JP) 2010-12-02 — — 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 (1 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-20120115856-A1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS BDNF, NGF, NTRK2 ALDH1A1 1772/4885HPGD 1524/4885SMN1; SMN2 157/4885

“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.

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