SCHEMBL2234469

SCHEMBL2234469

OCc1ncn2c1CCc1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MITF O75030 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
ADRB2 P07550 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
USP2 O75604 1/20 0.35
CDK4 P11802 1/20 0.35
ALOX15 P16050 1/20 0.35
CCND1 P24385 1/20 0.35
HTR2A P28223 1/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL2238273 0.91 SMN1; SMN2 (0.39) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL10293863 0.84 GABRG2 (0.50) SRD5A1NPC1RAB9AMEN1KMT2A
SCHEMBL2236178 0.81 SMN1; SMN2 (0.42) SRD5A1NPC1RAB9AMITFMEN1
SCHEMBL2234061 0.81 HTR2A (0.32) HTR2A
SCHEMBL8223047 0.80 MAPT (0.45) SRD5A1NPC1RAB9AMITFMEN1
SCHEMBL2235317 0.80 NOTUM (0.38) SRD5A1MEN1KMT2AALDH1A1GABRG2
SCHEMBL2233887 0.80 ALDH1A1 (0.35) SRD5A1ALDH1A1GABRG2GABRB3GABRA5
SCHEMBL2234274 0.79 L3MBTL1 (0.38) NPC1RAB9AALDH1A1GAAGABRG2
SCHEMBL8224589 0.78 PTPRA (0.40) SRD5A1NPC1RAB9AMITFMEN1
SCHEMBL10293869 0.77 HSD17B3 (0.39) SRD5A1NPC1RAB9AMITFMEN1

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
US-20120172598-A1 COMPOUNDS HAVING TAFIa INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-07-05 US disclosed
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 SRD5A1 2660/4885NPC1 2678/4885RAB9A 1859/4885
US-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAF1, TAF5, TAF11 SRD5A1 1412/4885NPC1 3383/4885RAB9A 3022/4885

“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.