SCHEMBL914211

SCHEMBL914211

CC(C)(C)c1ccc(-c2nc3ccccc3c(=O)o2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.71
NPC1 O15118 5/20 0.71
RAB9A P51151 4/20 0.71
RXFP1 Q9HBX9 1/20 0.67
ALDH1A1 P00352 8/20 0.66
KDM4E B2RXH2 5/20 0.66
MAPT P10636 4/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
LMNA P02545 1/20 0.66
XBP1 P17861 1/20 0.63
TP53 P04637 3/20 0.61
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
TNKS O95271 1/20 0.58
TNKS2 Q9H2K2 1/20 0.58
HPGD P15428 3/20 0.58
GAA P10253 1/20 0.56
F2 P00734 2/20 0.56
PRSS1 P07477 1/20 0.55

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
SCHEMBL125184 0.87 ELANE (0.93) ELANENPC1RAB9ARXFP1ALDH1A1
SCHEMBL29456973 0.87 ELANE (0.93) ELANENPC1RAB9ARXFP1ALDH1A1
SCHEMBL12212888 0.86 ELANE (0.89) ELANENPC1RAB9ARXFP1ALDH1A1
SCHEMBL3254378 0.86 ELANE (0.89) ELANENPC1RAB9ARXFP1ALDH1A1
SCHEMBL11817024 0.85 ELANE (0.71) ELANENPC1RAB9ARXFP1ALDH1A1
SCHEMBL273036 0.84 ELANE (0.93) ELANENPC1RAB9ARXFP1ALDH1A1
SCHEMBL29382161 0.84 ELANE (1.00) ELANENPC1RAB9ARXFP1ALDH1A1
SCHEMBL272702 0.84 ELANE (1.00) ELANENPC1RAB9ARXFP1ALDH1A1
SCHEMBL914482 0.83 NPC1 (1.00) ELANENPC1RAB9ARXFP1ALDH1A1
SCHEMBL6770574 0.82 F2 (0.49) ELANENPC1RAB9ARXFP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872052-B2 Use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2011-01-18 US disclosed
US-20060258651-A1 Use of heterocyclic compounds as scce inhibitors QUANTUM LTO HOLDINGS, LLC 2006-11-16 US disclosed
US-7129245-B2 Anticoagulants which act selectively on factor Xa; fast acting; oral; do not interfere with lysis of blood clots ELI LILLY AND COMPANY (US) 2006-10-31 US disclosed
EP-1631295-A2 USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER Arexis AB (SE) 2006-03-08 EP disclosed
US-20050282862-A1 Aromatic amides BEIGHT DOUGLAS W 2005-12-22 US disclosed
WO-2004108139-A2 USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER AREXIS AB (SE) 2004-12-16 WO disclosed
EP-1140903-B1 AROMATIC AMIDES LILLY CO ELI (US) 2004-08-04 EP disclosed
US-6759414-B2 ANTICOAGULANTS WHICH ACT SELECTIVELY ON FACTOR XA; FAST ACTING; ORAL; DO NOT INTERFERE WITH LYSIS OF BLOOD CLOTS ELI LILLY AND COMPANY 2004-07-06 US disclosed
US-20040029874-A1 Aromatic amides BEIGHT DOUGLAS WADE (US) 2004-02-12 US disclosed
US-6635657-B1 Pyridine derivatives; anticoagulants ELI LILLY AND COMPANY 2003-10-21 US disclosed
US-6605626-B2 Benzamide inhibitors of factor Xa ELI LILLY AND COMPANY 2003-08-12 US disclosed
US-20020120007-A1 Benzamide inhibitors of factor Xa BEIGHT DOUGLAS WADE (US) 2002-08-29 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20040029874-A1 Aromatic amides F11, F12, F5 ELANE 741/4885NPC1 1659/4885RAB9A 2097/4885
US-20060258651-A1 Use of heterocyclic compounds as scce inhibitors RCE1, CTSE, SPINT2 ELANE 353/4885NPC1 4151/4885RAB9A 3514/4885
US-20020120007-A1 Benzamide inhibitors of factor Xa TFPI, F11, F12 ELANE 130/4885NPC1 1618/4885RAB9A 2658/4885
US-20050282862-A1 Aromatic amides F11, F12, F5 ELANE 741/4885NPC1 1659/4885RAB9A 2097/4885

“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.