SCHEMBL2234256

SCHEMBL2234256

Cc1ccc2c(c1)CCc1c(C=O)ncn1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
SRD5A1 P18405 5/20 0.38
IDH1 O75874 1/20 0.38
ALDH1A1 P00352 4/20 0.38
GABRG2 P18507 4/20 0.37
GABRB3 P28472 4/20 0.37
GABRA5 P31644 4/20 0.37
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
HCAR1 Q9BXC0 1/20 0.34
TSHR P16473 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL2232987 0.89 ALDH1A1 (0.38) SRD5A1IDH1ALDH1A1GABRG2GABRB3
SCHEMBL2235371 0.82 MAPT (0.37) SRD5A1ALDH1A1GAAMEN1MAPT
SCHEMBL2235365 0.82 MAPT (0.37) SRD5A1ALDH1A1GAAMEN1MAPT
SCHEMBL2237866 0.81 NOTUM (0.42) NOTUMIDH1GABRG2GABRB3GABRA5
SCHEMBL2236516 0.80 SRD5A1 (0.43) SRD5A1GABRG2GABRB3GABRA5MEN1
SCHEMBL23050248 0.76 IDH1 (0.42) NOTUMIDH1GABRG2GABRB3GABRA5
SCHEMBL2235317 0.75 NOTUM (0.38) NOTUMSRD5A1IDH1ALDH1A1GABRG2
SCHEMBL2236228 0.74 SRD5A1 (0.47) SRD5A1MEN1KMT2A
SCHEMBL2232878 0.74 HRH3 (0.36) MEN1HPGDKMT2A
SCHEMBL23037022 0.74 IDH1 (0.45) NOTUMSRD5A1IDH1ALDH1A1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172598-A1 COMPOUNDS HAVING TAFIa INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-07-05 US disclosed
US-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-01 US disclosed
EP-2361910-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY Taisho Pharmaceutical Co., Ltd. (JP) 2011-08-31 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 (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-20120172598-A1 COMPOUNDS HAVING TAFIa INHIBITORY ACTIVITY TAF1, TFPI, TAF1L NOTUM 1198/4885SRD5A1 2660/4885IDH1 1504/4885
US-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAF1, TAF5, TAF11 NOTUM 547/4885SRD5A1 1412/4885IDH1 2972/4885

“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.