SCHEMBL6169544

SCHEMBL6169544

CC(C)(C)c1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.78
RAB9A P51151 7/20 0.78
MAPK1 P28482 3/20 0.78
SMN1; SMN2 Q16637 3/20 0.78
GAA P10253 1/20 0.78
ALDH1A1 P00352 4/20 0.71
GLA P06280 2/20 0.71
HTT P42858 2/20 0.71
CASP3 P42574 1/20 0.71
SENP8 Q96LD8 1/20 0.71
SENP7 Q9BQF6 1/20 0.71
SENP6 Q9GZR1 1/20 0.71
PHGDH O43175 1/20 0.70
ATM Q13315 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
POLB P06746 1/20 0.60
MAPT P10636 3/20 0.59
LMNA P02545 2/20 0.59
HPGD P15428 1/20 0.59
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL4460399 0.88 RAB9A (0.77) NPC1RAB9AMAPK1SMN1; SMN2GAA
SCHEMBL7292358 0.88 NPC1 (1.00) NPC1RAB9AMAPK1SMN1; SMN2GAA
SCHEMBL15149597 0.87 NPC1 (0.61) NPC1RAB9AMAPK1SMN1; SMN2GAA
SCHEMBL2342297 0.87 NPC1 (0.77) NPC1RAB9AMAPK1SMN1; SMN2GAA
SCHEMBL27847056 0.85 PHGDH (0.74) NPC1RAB9AMAPK1SMN1; SMN2GAA
SCHEMBL641989 0.85 PHGDH (0.77) NPC1RAB9AMAPK1SMN1; SMN2GAA
SCHEMBL6958604 0.84 PHGDH (0.76) NPC1RAB9ASMN1; SMN2ALDH1A1PHGDH
SCHEMBL2414416 0.83 PHGDH (0.70) NPC1RAB9AMAPK1SMN1; SMN2GAA
SCHEMBL10376329 0.83 PHGDH (0.70) NPC1RAB9AMAPK1SMN1; SMN2GAA
SCHEMBL7301496 0.82 HTT (0.73) NPC1RAB9AMAPK1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019045-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-06-08 EP disclosed
US-6605626-B2 Benzamide inhibitors of factor Xa ELI LILLY AND COMPANY 2003-08-12 US disclosed
US-20030078431-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2003-04-24 US disclosed
US-6500851-B2 ANTICOAGULANT IN MAMMLS ELI LILLY AND COMPANY 2002-12-31 US disclosed
US-20020173518-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2002-11-21 US disclosed
US-20020120007-A1 Benzamide inhibitors of factor Xa BEIGHT DOUGLAS WADE (US) 2002-08-29 US disclosed
EP-1019045-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-03 EP disclosed
US-6372759-B1 BLOOD COAGULATION FACTOR XA FOR MAMMALS ELI LILLY AND COMPANY 2002-04-16 US disclosed
US-6313122-B1 AS INHIBITORS OF FACTOR XA AND ARE USED AS ANTICOAGULANTS IN MAMMALS ELI LILLY AND COMPANY 2001-11-06 US disclosed
EP-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO disclosed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed
EP-0358118-B1 Phenylamides - process for their preparation as well as a drug containing those compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-03-16 EP disclosed
US-5135949-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1992-08-04 US disclosed
EP-0358118-A1 Phenylamides - process for their preparation as well as a drug containing those compounds Roche Diagnostics GmbH (DE) 1990-03-14 EP 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 (3 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-20020173518-A1 Antithrombotic agents SERPINC1, TFPI, F11 NPC1 1604/4885RAB9A 3012/4885MAPK1 578/4885
US-20020120007-A1 Benzamide inhibitors of factor Xa TFPI, F11, F12 NPC1 1618/4885RAB9A 2658/4885MAPK1 1423/4885
US-20030078431-A1 Antithrombotic agents SERPINC1, TFPI, F11 NPC1 1604/4885RAB9A 3012/4885MAPK1 578/4885

“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.