SCHEMBL1324822

SCHEMBL1324822

CCc1nc(C(=O)c2ccccc2)no1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.41
▸ HPGD P15428 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ SMPD1 P17405 2/20 0.39
▸ NOTUM Q6P988 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ RECQL P46063 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ELANE P08246 1/20 0.37
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37

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
SCHEMBL3853732 0.88 KDM4E (0.44) ALDH1A1HPGDMAPTSMN1; SMN2MEN1
SCHEMBL10925378 0.84 KMT2A (0.44) ALDH1A1HPGDMAPTSMN1; SMN2MEN1
SCHEMBL4781509 0.83 ALDH1A1 (0.43) ALDH1A1HPGDMAPTSMN1; SMN2MEN1
SCHEMBL10926602 0.82 NPC1 (0.56) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL10925296 0.81 ATM (0.39) ALDH1A1HPGDMAPTSMN1; SMN2MEN1
SCHEMBL1324894 0.78 POLB (0.48) ALDH1A1HPGDMAPTSMN1; SMN2MEN1
SCHEMBL15332383 0.77 APOBEC3A (0.35) ALDH1A1HPGDMAPTSMN1; SMN2MEN1
SCHEMBL10926015 0.77 NPC1 (0.63) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8114735 0.73 HDAC6 (0.66) ALDH1A1HPGDMAPTSMN1; SMN2MEN1
SCHEMBL3852258 0.73 APOBEC3A (0.35) ALDH1A1HPGDMAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576220-B2 Method of producing 1,2,4-oxadiazole derivatives RIKKYO GAKUIN (JP) 2009-08-18 — — US claimed
US-20080086009-A1 Method of producing 1,2,4-oxadiazole derivatives RIKKYO GAKUIN (JP) 2008-04-10 — — US claimed
US-8609696-B2 Serotonin 5-HT2B receptor inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-17 — — US disclosed
US-20110269742-A1 Serotonin 5-HT2B Receptor Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 — — US disclosed
US-7576220-B2 Method of producing 1,2,4-oxadiazole derivatives RIKKYO GAKUIN (JP) 2009-08-18 — — US disclosed
US-20080086009-A1 Method of producing 1,2,4-oxadiazole derivatives RIKKYO GAKUIN (JP) 2008-04-10 — — 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-20110269742-A1 Serotonin 5-HT2B Receptor Inhibitors HTR2B, HTR1B, HTR3B ALDH1A1 747/4885HPGD 675/4885MAPT 3385/4885
US-20080086009-A1 Method of producing 1,2,4-oxadiazole derivatives NOS1, NOS2, NOS3 ALDH1A1 23/4885HPGD 309/4885MAPT 4357/4885

“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.

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