SCHEMBL2800629

SCHEMBL2800629

CS(=O)(=O)NC(=O)c1cnn2c(NCCc3ccccc3)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SPR P35270 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
TPSAB1 Q15661 2/20 0.37
SIRT5 Q9NXA8 1/20 0.37
RBP4 P02753 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRM4 P08173 1/20 0.36
CCR1 P32246 1/20 0.36
MCL1 Q07820 1/20 0.36
BCL2A1 Q16548 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL2799687 0.92 STAT6 (0.40) ALDH1A1LMNASPRKDM4EHPGD
SCHEMBL2801745 0.90 SPR (0.41) ALDH1A1LMNATSHRHKDC1HSD17B10
SCHEMBL2802186 0.88 VNN1 (0.43) ALDH1A1HSD17B10KDM4EHPGDTPSAB1
SCHEMBL2802391 0.87 SMN1; SMN2 (0.41) ALDH1A1LMNATSHRHSD17B10SPR
SCHEMBL2800864 0.87 CCR1 (0.42) CHRM4CCR1TP53
SCHEMBL2802693 0.87 TP53 (0.41) ALDH1A1LMNATSHRRBP4CHRM4
SCHEMBL2798553 0.86 THRB (0.37) ALDH1A1LMNASPRKDM4EHPGD
SCHEMBL2803183 0.86 SPR (0.38) ALDH1A1SPRKDM4EHPGDSIRT5
SCHEMBL2801433 0.86 TP53 (0.39) ALDH1A1LMNATSHRHSD17B10KDM4E
SCHEMBL2800890 0.86 NTRK1 (0.40) ALDH1A1TPSAB1CHRM4TP53SCD5

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 243/4885LMNA 2418/4885TSHR 4698/4885

“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.