SCHEMBL1324894

SCHEMBL1324894

Cc1nc(C(=O)c2ccccc2)no1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.45
▸ MAPT P10636 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ADORA2A P29274 2/20 0.42
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ PLK1 P53350 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL29923011 0.78 NPC1 (0.54) ALDH1A1MAPTLMNAGAAMEN1
SCHEMBL8114735 0.77 HDAC6 (0.66) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL3853732 0.76 KDM4E (0.44) RECQLALDH1A1MAPTGAAMEN1
SCHEMBL10925378 0.75 KMT2A (0.44) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL29923454 0.74 NFKB1 (0.60) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL4781509 0.74 ALDH1A1 (0.43) ALDH1A1MAPTLMNAGAAMEN1
SCHEMBL1760325 0.74 — —
SCHEMBL28489651 0.74 ALDH1A1 (0.65) POLBRECQLALDH1A1MAPTLMNA
SCHEMBL1323941 0.73 SMYD3 (0.49) ALDH1A1MAPTLMNARAB9ANPC1
SCHEMBL11071145 0.73 RAB9A (0.54) POLBALDH1A1MAPTLMNAMEN1

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 7 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
WO-2010080357-A1 SEROTONIN 5-HT2B RECEPTOR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-15 — — WO 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 POLB 1095/4885RECQL 1326/4885ALDH1A1 747/4885
US-20080086009-A1 Method of producing 1,2,4-oxadiazole derivatives NOS1, NOS2, NOS3 POLB 661/4885RECQL 3270/4885ALDH1A1 23/4885

“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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