SCHEMBL6803749

SCHEMBL6803749

Cc1ccc(-c2cncnc2)cc1NC(=O)c1cccc2c1[nH]c1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 6/20 0.45
THRB P10828 1/20 0.43
LMNA P02545 2/20 0.43
MGAM O43451 2/20 0.42
POLB P06746 2/20 0.41
PARP14 Q460N5 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
ICOSLG O75144 1/20 0.41
ICOS Q9Y6W8 1/20 0.41
GAA P10253 1/20 0.40
HTT P42858 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
SCHEMBL6800445 0.84 KMT2A (0.49) KMT2AMEN1KDM4EMAPTPARP14
SCHEMBL6833155 0.83 CNR1 (0.47) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL6756653 0.75 ABL1 (0.46) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL6804501 0.72 CNR1 (0.46) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL147834 0.70 HTT (0.56) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL148468 0.70 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL148355 0.69 PABPC1 (0.56) KMT2AMEN1KDM4EMAPTPARP14
SCHEMBL397411 0.69 CFTR (0.61)
SCHEMBL148606 0.68 PABPC1 (0.65) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL146257 0.68 PARP14 (0.55) KMT2AMEN1KDM4EMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266774-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US disclosed
US-6770667-B1 N-((IMIDAZOLYL)-PHENYL)-FLUORENE-1-CARBOXAMIDE DERIVATIVES; 5-HYDROXYTRYPTAMINE (5-HT) ANTAGONISTS; PSYCHOLOGICAL, NERVOUS SYSTEM, EATING, BRAIN AND SLEEP DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-03 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 (1 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-20040266774-A1 Amide compounds TPH1, HTR1A, HTR5A KMT2A 2167/4885MEN1 1936/4885ALDH1A1 386/4885

“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.