SCHEMBL2687366

SCHEMBL2687366

CCC(CO)n1c(C)nc2cc(-c3nc4ccccc4o3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.44
▸ KDM4E B2RXH2 8/20 0.43
▸ NPC1 O15118 8/20 0.43
▸ RAB9A P51151 7/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ HPGD P15428 5/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ HCRTR1 O43613 2/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ STAT1 P42224 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ HSD17B10 Q99714 6/20 0.42
▸ USP2 O75604 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL2688640 0.84 NPC1 (0.42) TSHRKDM4ENPC1RAB9AALDH1A1
SCHEMBL2687985 0.83 NPC1 (0.49) TSHRKDM4ENPC1RAB9AALDH1A1
SCHEMBL10219728 0.80 NPC1 (0.48) TSHRKDM4ENPC1RAB9AALDH1A1
SCHEMBL2687383 0.78 KDM4E (0.55) TSHRKDM4ENPC1RAB9AALDH1A1
SCHEMBL2688624 0.78 KMT2A (0.53) TSHRKDM4ENPC1RAB9AALDH1A1
SCHEMBL2688110 0.77 NPC1 (0.55) TSHRKDM4ENPC1RAB9AALDH1A1
SCHEMBL2686523 0.77 KDM4E (0.48) TSHRKDM4ENPC1RAB9AALDH1A1
SCHEMBL2686759 0.76 NPC1 (0.49) TSHRKDM4ENPC1RAB9AALDH1A1
SCHEMBL2686813 0.76 KDM4E (0.45) TSHRKDM4ENPC1RAB9AALDH1A1
SCHEMBL2686058 0.75 RAB9A (0.44) TSHRKDM4ENPC1RAB9AALDH1A1

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 7 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
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
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

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 TSHR 205/4885KDM4E 4538/4885NPC1 525/4885

“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.

Send feedback