SCHEMBL7079453

SCHEMBL7079453

Cc1ccncc1-c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
PDE4B Q07343 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE7A Q13946 1/20 0.45
PDE7B Q9NP56 1/20 0.45
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 1/20 0.44
CYP3A4 P08684 3/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 2/20 0.44
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44

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
SCHEMBL527993 0.89 PDE4B (0.48) HSD17B10PDE4BPDE4DPDE7APDE7B
SCHEMBL2887065 0.83 ALDH1A1 (0.47) HSD17B10PDE4BPDE4DPDE7APDE7B
SCHEMBL5764154 0.82 ALDH1A1 (0.46) HSD17B10PDE4BPDE4DPDE7APDE7B
SCHEMBL4328683 0.80 HSD17B10 (0.47) HSD17B10PDE4BPDE4DPDE7APDE7B
SCHEMBL16472053 0.77 MEN1 (0.53) HSD17B10ALDH1A1SMN1; SMN2RAB9ACYP3A4
SCHEMBL2651033 0.75 CYP19A1 (0.54) HSD17B10PDE4DALDH1A1SMN1; SMN2RAB9A
SCHEMBL7082047 0.74 PLA2G7 (0.51) ALDH1A1SMN1; SMN2CYP3A4TSHR
SCHEMBL429611 0.74 ALDH1A1 (0.55) PDE4BPDE4DPDE7APDE7BALDH1A1
SCHEMBL928124 0.74 HSD17B10 (0.41) HSD17B10PDE4BPDE4DPDE7APDE7B
SCHEMBL6024676 0.74 HSD17B10 (0.41) HSD17B10PDE4BPDE4DPDE7APDE7B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030105139-A1 Indole derivatives as 5-HT receptor antagonist SMITHKLINE BEECHAM P.L.C. 2003-06-05 US disclosed
US-6235758-B1 CENTRAL NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-22 US disclosed
EP-0808312-B1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 2000-11-02 EP disclosed
US-5990133-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS ANXIETY OR DEPRESSION SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed
EP-0808312-A1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1997-11-26 EP disclosed
WO-1996023783-A1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1996-08-08 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-20030105139-A1 Indole derivatives as 5-HT receptor antagonist HTR5A, HTR2C, HTR1A HSD17B10 2343/4885PDE4B 1118/4885PDE4D 828/4885

“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.