SCHEMBL2800838

SCHEMBL2800838

O=C(O)c1cnn2c(NCc3ccccc3)c(C(=O)N3CCC(c4ccc(F)cc4)CC3)cnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
TP53 P04637 1/20 0.41
STAT6 P42226 1/20 0.41
ENPP2 Q13822 1/20 0.41
TSHR P16473 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40

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 0.94 STAT6 (0.42) CHRM4ALDH1A1STAT6ENPP2ADORA3
SCHEMBL2801418 0.91 CHRM4 (0.42) CHRM4ALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL2801054 0.91 CCR1 (0.45) CHRM4SMN1; SMN2TP53STAT6ENPP2
SCHEMBL2798414 0.91 STAT6 (0.43) ALDH1A1SMN1; SMN2MAPTRAB9ATP53
SCHEMBL2800791 0.91 ALDH1A1 (0.44) CHRM4ALDH1A1TP53NPC1MEN1
SCHEMBL2802693 0.90 TP53 (0.41) CHRM4ALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL2800576 0.89 THRB (0.39) STAT6ENPP2ADORA3ADORA2AKDM4C
SCHEMBL2800901 0.88 CHRM4 (0.43) CHRM4ALDH1A1MAPTTP53EGLN1
SCHEMBL2801553 0.88 STAT6 (0.48) ALDH1A1STAT6ENPP2
SCHEMBL2801219 0.87 VNN1 (0.48) KDM4C

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 CHRM4 4837/4885ALDH1A1 243/4885SMN1; SMN2 2769/4885

“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.