SCHEMBL2800583

SCHEMBL2800583

O=C(O)c1cnn2c(Nc3ccc(F)cc3Cl)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
PRSS12 P56730 3/20 0.43
SIRT5 Q9NXA8 3/20 0.43
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
EGLN1 Q9GZT9 2/20 0.41
HSD11B1 P28845 2/20 0.40
NPC1 O15118 1/20 0.40
SPR P35270 1/20 0.40
DHODH Q02127 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
IDO1 P14902 1/20 0.39
AVPR1A P37288 1/20 0.39
P2RX7 Q99572 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
GAA P10253 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
SCHEMBL2801106 0.92 ALDH1A1 (0.46) ALDH1A1PRSS12SIRT5UBE2MDCUN1D1
SCHEMBL2801102 0.90 SIRT5 (0.50) ALDH1A1SIRT5EGLN1NPC1SPR
SCHEMBL2800070 0.90 ALDH1A1 (0.47) ALDH1A1PRSS12NPC1SPRDHODH
SCHEMBL2801754 0.89 ALDH1A1 (0.42) ALDH1A1PRSS12SIRT5UBE2MDCUN1D1
SCHEMBL2800588 0.86 ALDH1A1 (0.42) ALDH1A1PRSS12SIRT5EGLN1NPC1
SCHEMBL2799831 0.86 ALDH1A1 (0.47) ALDH1A1PRSS12EGLN1NPC1SPR
SCHEMBL2800139 0.85 FASN (0.42) ALDH1A1PRSS12EGLN1DHODHSMN1; SMN2
SCHEMBL2801684 0.85 LMNA (0.45) ALDH1A1SIRT5EGLN1SPRDHODH
SCHEMBL2800415 0.85 SIRT5 (0.43) ALDH1A1SIRT5EGLN1NPC1SPR
SCHEMBL14471784 0.84 HSD11B1 (0.40) ALDH1A1PRSS12SIRT5UBE2MDCUN1D1

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 243/4885PRSS12 1722/4885SIRT5 2237/4885

“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.