SCHEMBL6805433

SCHEMBL6805433

Cc1ccc(-c2cncnc2)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
RECQL P46063 1/20 0.50
ERN1 O75460 1/20 0.49
PIK3CB P42338 1/20 0.45
MAPT P10636 8/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
DAPK3 O43293 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HSD17B10 Q99714 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
GRK6 P43250 1/20 0.41
CTDSP1 Q9GZU7 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
SCHEMBL7190826 0.86 TSHR (0.64) ALDH1A1TSHRCYP3A4RECQLMAPT
SCHEMBL17117159 0.84 TSHR (0.62) ALDH1A1TSHRCYP3A4RECQLMAPT
SCHEMBL2377563 0.83 DAPK3 (0.56) ALDH1A1TSHRCYP3A4RECQLMAPT
SCHEMBL10475465 0.81 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4RECQLMAPT
SCHEMBL30474720 0.80 MAPT (0.73) ALDH1A1TSHRCYP3A4ERN1MAPT
SCHEMBL717629 0.80 MAPT (0.73) ALDH1A1TSHRCYP3A4ERN1MAPT
SCHEMBL9999827 0.79 ALDH1A1 (0.56) ALDH1A1TSHRCYP3A4RECQLMAPT
SCHEMBL15203036 0.77 CRHBP (0.58) ALDH1A1TSHRCYP3A4RECQLMAPT
SCHEMBL1514401 0.77 CRHBP (0.58) ALDH1A1TSHRCYP3A4RECQLMAPT
SCHEMBL20364812 0.76 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4RECQLMAPT

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
CN-1626532-A Amide compounds FUJISAWA PHARMACEUTICAL CO (JP) 2005-06-15 CN disclosed
US-20040266774-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US disclosed
CN-1170826-C Amide compound ����ҩƷ��ҵ��ʽ���� 2004-10-13 CN 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
CN-1376153-A Amide compound FUJISAWA PHARMACEUTICAL CO (JP) 2002-10-23 CN disclosed
EP-1216240-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-06-26 EP disclosed
WO-2001025229-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-12 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 (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 ALDH1A1 386/4885TSHR 112/4885CYP3A4 139/4885

“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.