SCHEMBL2688545

SCHEMBL2688545

Cc1nc2cc(-c3nc4ccccc4o3)ccc2n1CCNC(=O)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.51
▸ TP53 P04637 2/20 0.51
▸ KDM4E B2RXH2 6/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ HSD17B10 Q99714 4/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ HPGD P15428 4/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ NFKB1 P19838 2/20 0.41
▸ NFKB2 Q00653 2/20 0.41
▸ RELA Q04206 2/20 0.41
▸ HCRTR1 O43613 1/20 0.41
▸ STAT1 P42224 1/20 0.41
▸ P2RY14 Q15391 4/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ USP2 O75604 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
SCHEMBL2688141 0.85 BRD4 (0.46) MAPTTP53KDM4ERAB9AHSD17B10
SCHEMBL2686316 0.84 KDM4E (0.41) MAPTTP53KDM4ERAB9AHSD17B10
SCHEMBL2687585 0.84 SMN1; SMN2 (0.46) MAPTTP53KDM4ERAB9AHSD17B10
SCHEMBL10219856 0.83 KDM4E (0.43) MAPTKDM4ERAB9AHSD17B10ALDH1A1
SCHEMBL2686320 0.83 ALDH1A1 (0.44) MAPTKDM4ERAB9AHSD17B10ALDH1A1
SCHEMBL2688713 0.82 NPC1 (0.44) MAPTTP53KDM4ERAB9AHSD17B10
SCHEMBL2688624 0.81 KMT2A (0.53) MAPTTP53KDM4ERAB9AHSD17B10
SCHEMBL2686523 0.80 KDM4E (0.48) MAPTTP53KDM4ERAB9AHSD17B10
SCHEMBL2687137 0.79 KDM4E (0.46) MAPTKDM4ERAB9AHSD17B10ALDH1A1
SCHEMBL16015597 0.79 NPC1 (0.45) MAPTTP53KDM4ERAB9AHSD17B10

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
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-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 MAPT 2988/4885TP53 3123/4885KDM4E 4538/4885

“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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