SCHEMBL2800783

SCHEMBL2800783

Cc1ccc(C)c(Nc2c(C(=O)N3CC=C(c4ccc(F)cc4)CC3)cnc3c(C(=O)O)cnn23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NAMPT P43490 4/20 0.36
LMNA P02545 1/20 0.35
PARP1 P09874 2/20 0.35
KDR P35968 2/20 0.34
DHODH Q02127 1/20 0.34

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
SCHEMBL2801522 0.91 ALDH1A1 (0.44) MAPTNPC1ALDH1A1HPGDALOX15
SCHEMBL2803136 0.89 ALDH1A1 (0.34) MAPTNPC1ALDH1A1HPGDALOX15
SCHEMBL2799665 0.84 FASN (0.42) MAPTNPC1ALDH1A1RAB9ATP53
SCHEMBL2800107 0.82 SPR (0.39) MAPTALDH1A1SMN1; SMN2KDM4ETP53
SCHEMBL2801230 0.78 TP53 (0.41) MAPTNPC1ALDH1A1HPGDRAB9A
SCHEMBL2800055 0.77 SPR (0.44) MAPTALDH1A1HPGDKDM4ETP53
SCHEMBL2801551 0.77 FASN (0.39) MAPTALDH1A1HPGDKDM4ETP53
SCHEMBL2799436 0.77 TP53 (0.44) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2800858 0.77 TP53 (0.42) MAPTALDH1A1HPGDRAB9AKDM4E
SCHEMBL2799735 0.77 FASN (0.40) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2

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 MAPT 2533/4885NPC1 1787/4885ALDH1A1 243/4885

“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.