SCHEMBL9923540

SCHEMBL9923540

Cc1ccc(Cc2cc[n+]([O-])cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.41
IDO1 P14902 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
LTA4H P09960 1/20 0.37
AGXT P21549 2/20 0.37
KCNH2 Q12809 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
ACHE P22303 1/20 0.36
CHKA P35790 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 1/20 0.36
DAO P14920 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL11410252 0.80 IDO1 (0.58) SRD5A2IDO1ALDH1A1HTTCYP1A2
SCHEMBL1149394 0.80 IDO1 (0.58) SRD5A2IDO1ALDH1A1HTTCYP1A2
SCHEMBL158515 0.77
SCHEMBL6317405 0.76 CALM1 (0.60) ALDH1A1HTTLMNASMN1; SMN2LTA4H
SCHEMBL6548000 0.75 IDO1 (0.48) SRD5A2IDO1ALDH1A1CYP1A2CYP2A6
Water SCHEMBL20543428 0.75
SCHEMBL13980873 0.74 MAOB (0.51) ALDH1A1SMN1; SMN2KCNH2MAPK1
SCHEMBL12132107 0.73 RAB9A (0.44) ALDH1A1LMNATDP1ACHE
SCHEMBL15787350 0.73 PDE4A (0.37) ALDH1A1LMNASMN1; SMN2
SCHEMBL1434203 0.72

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US 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 (2 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-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 SRD5A2 3764/4885IDO1 460/4885ALDH1A1 1451/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 SRD5A2 3764/4885IDO1 460/4885ALDH1A1 1451/4885

“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.