SCHEMBL1163336

SCHEMBL1163336

O=C1c2ccccc2C(=O)N1Cc1ccc2ncccc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 1/20 0.69
▸ PKM P14618 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ HPGD P15428 2/20 0.51
▸ PABPC1 P11940 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ MET P08581 4/20 0.49
▸ PSMD14 O00487 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ MMP2 P08253 1/20 0.49
▸ CHKA P35790 1/20 0.48
▸ TSHR P16473 1/20 0.48

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
SCHEMBL18529278 0.82 CYP1B1 (0.49) CYP1B1PKMKMT2AMEN1ALDH1A1
SCHEMBL25549673 0.80 KMT2A (0.51) CYP1B1PKMKMT2AMEN1ALDH1A1
SCHEMBL2569297 0.80 PABPC1 (0.60) PKMKMT2AMEN1ALDH1A1HPGD
SCHEMBL6526615 0.80 CYP1B1 (0.53) CYP1B1PKMKMT2AMEN1ALDH1A1
SCHEMBL5558757 0.80 MEN1 (0.52) CYP1B1KMT2AMEN1ALDH1A1MAPT
SCHEMBL1205148 0.79 MAPT (0.56) CYP1B1PKMKMT2AHPGDPABPC1
SCHEMBL1206339 0.77 ALOX15 (0.48) CYP1B1PKMKMT2AMEN1ALDH1A1
SCHEMBL1206885 0.77 PABPC1 (0.48) CYP1B1PKMKMT2AHPGDPABPC1
SCHEMBL24170127 0.75 POLB (0.44) CYP1B1PKMKMT2AMEN1ALDH1A1
SCHEMBL29843133 0.74 ALDH1A1 (0.68) CYP1B1PKMKMT2AMEN1ALDH1A1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507676-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-08-13 — — US disclosed
US-8507676-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-08-13 — — US disclosed
US-8507676-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-08-13 — — US disclosed
US-8497368-B2 Heterocyclic hydrazone compounds NOVARTIS AG (CH) 2013-07-30 — — US disclosed
US-8497368-B2 Heterocyclic hydrazone compounds NOVARTIS AG (CH) 2013-07-30 — — US disclosed
US-8497368-B2 Heterocyclic hydrazone compounds NOVARTIS AG (CH) 2013-07-30 — — US disclosed
US-8410264-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-04-02 — — US disclosed
US-8410264-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-04-02 — — US disclosed
US-8410264-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-04-02 — — US disclosed
US-20120302570-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2012-11-29 — — US disclosed
US-20120142681-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS NOVARTIS AG (CH) 2012-06-07 — — US disclosed
US-20120142681-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS NOVARTIS AG (CH) 2012-06-07 — — US disclosed
US-20120142681-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS NOVARTIS AG (CH) 2012-06-07 — — US disclosed
US-20110065708-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2011-03-17 — — US disclosed
US-20110065708-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2011-03-17 — — US disclosed
US-20110065708-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2011-03-17 — — US disclosed
WO-2011020861-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2011-02-24 — — WO disclosed
WO-2011020861-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2011-02-24 — — WO disclosed
WO-2011018454-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS AND THEIR USES TO TREAT CANCER AND INFLAMMATION NOVARTIS AG (CH) 2011-02-17 — — WO disclosed
WO-2011018454-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS AND THEIR USES TO TREAT CANCER AND INFLAMMATION NOVARTIS AG (CH) 2011-02-17 — — WO 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 (3 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-20120142681-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS MET, HGF, RET CYP1B1 116/4885PKM 96/4885KMT2A 764/4885
US-20110065708-A1 HETEROCYCLIC OXIME COMPOUNDS MET, ERBB2, TIE1 CYP1B1 54/4885PKM 179/4885KMT2A 1031/4885
US-20120302570-A1 HETEROCYCLIC OXIME COMPOUNDS MET, ERBB2, TIE1 CYP1B1 54/4885PKM 179/4885KMT2A 1031/4885

“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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