SCHEMBL6809571

SCHEMBL6809571

O=C(Nc1cccc(-n2cnnc2)c1)c1cccc2c1[nH]c1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.49
MEN1 O00255 7/20 0.49
HTT P42858 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
GRM5 P41594 1/20 0.43
LMNA P02545 1/20 0.41
NR2E1 Q9Y466 2/20 0.41
BRAF P15056 1/20 0.41
MAP3K5 Q99683 1/20 0.41
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.39
CFTR P13569 1/20 0.39
JAK2 O60674 1/20 0.39

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
SCHEMBL6808666 0.86 NR2E1 (0.56) KMT2AMEN1GRM5NR2E1MAPT
SCHEMBL6756816 0.83 KMT2A (0.47) KMT2AMEN1GRM5LMNANR2E1
SCHEMBL6805289 0.83 MEN1 (0.42) KMT2AMEN1GRM5BRAFMAP3K5
SCHEMBL6803707 0.81 KMT2A (0.47) KMT2AMEN1GRM5NR2E1MAP3K5
SCHEMBL6755621 0.80 KMT2A (0.46) KMT2AMEN1GRM5LMNANR2E1
SCHEMBL677656 0.78 KMT2A (0.53) KMT2AMEN1HTTMAPTKDM4E
SCHEMBL6833155 0.76 CNR1 (0.47) KMT2AMEN1CYP2C9GRM5BRAF
SCHEMBL148468 0.75 ALDH1A1 (0.58) KMT2AMEN1HTTLMNAKDM4E
SCHEMBL6756628 0.73 KMT2A (0.43) KMT2AMEN1HTTGRM5LMNA
SCHEMBL7481662 0.72 MAPT (0.53) KMT2AMEN1MAPTKDM4ENPC1

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 1936/4885HTT 875/4885

“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.