Sugi Predict

Sugi Predict / Compounds / SCHEMBL7220889

SCHEMBL7220889

SCHEMBL7220889

O=C(c1ccc(Cl)cc1)C(Cl)[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CES2 O00748 3/20 0.45
▸ CES1 P23141 3/20 0.45
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAOB P27338 2/20 0.41
▸ MAOA P21397 1/20 0.41
▸ PHGDH O43175 1/20 0.41
▸ MDM2 Q00987 1/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ GSK3B P49841 2/20 0.39
▸ SRD5A2 P31213 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 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
SCHEMBL599311 0.82 TDP1 (0.45) CA2CES2CES1TSHRMDM2
SCHEMBL3645803 0.82 TDP1 (0.45) CA2CES2CES1TSHRMDM2
SCHEMBL9640832 0.76 MAPT (0.49) CA1CA2TSHRMAPK1MEN1
SCHEMBL6851984 0.74 PDPK1 (0.59) CA1CA2CES2CES1ALOX15
SCHEMBL11750569 0.73 MAOB (0.51) CA1CA2CES2CES1TSHR
SCHEMBL11748793 0.73 MAOB (0.51) CA1CA2CES2CES1TSHR
SCHEMBL9823838 0.73 CES2 (0.54) CA1CA2CES2CES1ALOX15
SCHEMBL10762274 0.72 ALOX15 (0.42) CA1CA2CES2CES1ALOX15
SCHEMBL9730123 0.72 GSK3B (0.42) CA1CA2CES2CES1ALOX15
SCHEMBL1481505 0.71 CES2 (0.52) CA1CA2CES2CES1ALOX15

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-6589958-B1 Treatment of psychiatric disorders and neurological diseases including affective disorder, anxiety, stress disorder, supranuclear palsy, immune suppression, Alzheimer's disease, gastrointestinal diseases, anorexia BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-08 — — US disclosed
US-20030114451-A1 Isoxazolo [4,5-d] pyrimidines as CRF antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-19 — — US disclosed
US-20020013461-A1 Isoxazolo [4,5-d] pyrimidines as CRF antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-31 — — US disclosed
US-6294671-B1 FOR THERAPY OF PSYCHIATRIC DISORDERS AND NEUROLOGICAL DISEASES INCLUDING AFFECTIVE DISORDER, ANXIETY, DEPRESSION, HEADACHE, IRRITABLE BOWEL SYNDROME, POST-TRAUMATIC STRESS DISORDER, SUPRANUCLEAR PALSY, IMMUNE SUPPRESSION, ALZHEIMER'S DISEASE DUPONT PHARMACEUTICALS COMPANY 2001-09-25 — — US disclosed
EP-1105394-A1 ISOXAZOLO 4,5-d]PYRIMIDINES AS CRF ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2001-06-13 — — EP disclosed
WO-2000011003-A1 ISOXAZOLO[4,5-d]PYRIMIDINES AS CRF ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-03-02 — — 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 (2 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-20020013461-A1 Isoxazolo [4,5-d] pyrimidines as CRF antagonists CRHR1, P2RX5, P2RX1 CA1 2268/4885CA2 1619/4885CES2 3874/4885
US-20030114451-A1 Isoxazolo [4,5-d] pyrimidines as CRF antagonists CRHR1, P2RX5, P2RX1 CA1 2268/4885CA2 1619/4885CES2 3874/4885

“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.