SCHEMBL2801231

SCHEMBL2801231

O=C(c1cnc2c(Br)cnn2c1NCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 2/20 0.48
USP2 O75604 1/20 0.48
MAPT P10636 7/20 0.46
GFER P55789 3/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
ALOX15 P16050 2/20 0.44
ALOX12 P18054 2/20 0.44
GRM5 P41594 1/20 0.44
RUVBL1 Q9Y265 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL2800410 0.91 TP53 (0.54) TP53MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL2801418 0.87 CHRM4 (0.42) TP53MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2801827 0.85 TP53 (0.48) TP53MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL2799674 0.85 POLB (0.46) MEN1KMT2ASMN1; SMN2MAPK1MAPT
SCHEMBL2802395 0.84 KDM4E (0.44) TP53MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2800804 0.82 VNN1 (0.37) SLC6A7
SCHEMBL2802845 0.82 STAT6 (0.41) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL2801948 0.82 CHRM4 (0.42) MAPTCYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL2801640 0.81 EPHX2 (0.42) KDM4ESLC6A7
SCHEMBL2800915 0.80 ALDH1A1 (0.43) MEN1KMT2AKDM4EALDH1A1LMNA

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 TP53 241/4885MEN1 3065/4885KMT2A 2175/4885

“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.