SCHEMBL2801678

SCHEMBL2801678

O=C(c1cnc2c(C(=O)N3CCOCC3)cnn2c1NCc1ccccc1)N1CCC(c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.42
HPGD P15428 4/20 0.42
TSHR P16473 3/20 0.42
HSD17B10 Q99714 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.40
PDE4B Q07343 1/20 0.40
STAT6 P42226 1/20 0.40
ENPP2 Q13822 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
SPR P35270 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL2800936 0.92 STAT6 (0.42) ALDH1A1POLBTHRBSTAT6ENPP2
SCHEMBL2801553 0.89 STAT6 (0.48) ALDH1A1THRBPDE4BSTAT6ENPP2
SCHEMBL2801524 0.89 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL2802845 0.86 STAT6 (0.41) ALDH1A1KDM4EPOLBMAPTTHRB
SCHEMBL2801054 0.86 CCR1 (0.45) SMN1; SMN2TP53THRBSTAT6ENPP2
SCHEMBL2800838 0.86 CHRM4 (0.43) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT
SCHEMBL2798414 0.86 STAT6 (0.43) ALDH1A1KDM4ETSHRSMN1; SMN2POLB
SCHEMBL2805767 0.86 RBP4 (0.37) ALDH1A1TSHRHSD17B10THRBSTAT6
SCHEMBL2800576 0.86 THRB (0.39) THRBSTAT6ENPP2SPR
SCHEMBL2799687 0.85 STAT6 (0.40) ALDH1A1KDM4EHPGDSMN1; SMN2THRB

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 243/4885KDM4E 3180/4885HPGD 589/4885

“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.