SCHEMBL2800915

SCHEMBL2800915

O=C(c1cnc2c(Br)cnn2c1NCc1cccc(F)c1)N1CCC(c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.42
CHRM4 P08173 1/20 0.41
SCD5 Q86SK9 1/20 0.40
NTRK1 P04629 6/20 0.39
EGLN1 Q9GZT9 2/20 0.39
NTRK3 Q16288 1/20 0.39
NTRK2 Q16620 1/20 0.39
CCNT1 O60563 1/20 0.38
CDK9 P50750 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37

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
SCHEMBL2800791 0.92 ALDH1A1 (0.44) ALDH1A1NPC1CHRM4SCD5NTRK1
SCHEMBL2802845 0.92 STAT6 (0.41) ALDH1A1CHRM4KDM4EMEN1LMNA
SCHEMBL2801418 0.91 CHRM4 (0.42) ALDH1A1NPC1CHRM4EGLN1KDM4E
SCHEMBL2802442 0.90 AVPR1A (0.41) ALDH1A1EGLN1KDM4ELMNA
SCHEMBL2799022 0.88 ALDH1A1 (0.44) ALDH1A1NPC1CHRM4NTRK1KDM4E
SCHEMBL2801457 0.87 AXL (0.40) NPC1KMT2A
SCHEMBL2800833 0.87 GSK3B (0.47) SCD5
SCHEMBL2800890 0.86 NTRK1 (0.40) ALDH1A1NPC1CHRM4SCD5NTRK1
SCHEMBL2800587 0.86 STAT6 (0.42) ALDH1A1NPC1EGLN1KDM4EMEN1
SCHEMBL2800794 0.85 ALDH1A1 (0.41) ALDH1A1NPC1CHRM4SCD5NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206714-B1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO LTD (JP) 2015-01-21 EP disclosed
US-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
EP-2206714-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES Kyowa Hakko Kirin Co., Ltd. (JP) 2010-07-14 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 (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-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 ALDH1A1 243/4885NPC1 1787/4885CHRM4 4837/4885

“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.