SCHEMBL7560936

SCHEMBL7560936

O=C(Nc1ccc([N+](=O)[O-])cc1)n1cccnc1=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ TRPV1 Q8NER1 1/20 0.47
▸ KDR P35968 2/20 0.46
▸ POLB P06746 4/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ MITF O75030 2/20 0.46
▸ SLC11A2 P49281 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ TGM2 P21980 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL6219384 0.78 NPC1 (0.54) GAAKMT2AMEN1TRPV1POLB
SCHEMBL8589320 0.76 MAPT (0.46) GAAKMT2APOLBALDH1A1MAPT
SCHEMBL16592576 0.71 KDR (0.81) KMT2AMEN1KDRPOLBRAB9A
SCHEMBL3078101 0.70 KAT2B (0.48) GAAKMT2AMEN1POLBRAB9A
SCHEMBL28813844 0.69 GAA (0.85) GAAKMT2AMEN1TRPV1RAB9A
SCHEMBL9320475 0.69 KMT2A (0.53) GAAKMT2AMEN1POLBRAB9A
SCHEMBL6649165 0.68 LMNA (0.56) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL3710546 0.68 MEN1 (0.56) GAAKMT2AMEN1POLBRAB9A
SCHEMBL6302157 0.68 MEN1 (1.00) GAAKMT2AMEN1POLBRAB9A
SCHEMBL1177730 0.68 MEN1 (1.00) GAAKMT2AMEN1POLBRAB9A

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-20020010186-A1 Dihydropyrimidines and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-01-24 — — US disclosed
US-6245773-B1 BENIGN PROSTATIC HYPERPLAMIA; REDUCTION OF INTRAOCULAR PRESSURE SYNAPTIC PHARMACEUTICAL CORPORATION 2001-06-12 — — 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-20020010186-A1 Dihydropyrimidines and uses thereof QDPR, DPYD, ADRA1D GAA 2115/4885KMT2A 2886/4885MEN1 2855/4885

“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.

Send feedback