SCHEMBL580877

SCHEMBL580877

C[C@H](N)c1nc2ccc(Cl)cc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
HTR3E A5X5Y0 1/20 0.57
HTR3B O95264 1/20 0.57
HTR3A P46098 1/20 0.57
BACE1 P56817 1/20 0.57
HTR3D Q70Z44 1/20 0.57
HTR3C Q8WXA8 1/20 0.57
HPGD P15428 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP1A2 P05177 2/20 0.52
SCN10A Q9Y5Y9 6/20 0.49
PSMB8 P28062 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TP53 P04637 2/20 0.48
NPC1 O15118 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
GFER P55789 1/20 0.48
NFKB2 Q00653 1/20 0.48

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
SCHEMBL5100681 1.00 ALDH1A1 (0.57) ALDH1A1HTR3EHTR3BHTR3ABACE1
SCHEMBL580393 0.87 LMNA (0.42) ALDH1A1HTR3EHTR3BHTR3ABACE1
SCHEMBL1479636 0.87 LMNA (0.42) ALDH1A1HTR3EHTR3BHTR3ABACE1
SCHEMBL5104456 0.87 LMNA (0.42) ALDH1A1HTR3EHTR3BHTR3ABACE1
SCHEMBL11740622 0.86 ALDH1A1 (0.61) ALDH1A1HTR3EHTR3BHTR3ABACE1
Hydrochloric Acid SCHEMBL29915499 0.85 LMNA (0.41) ALDH1A1HTR3EHTR3BHTR3ABACE1
Hydrochloric Acid SCHEMBL587093 0.85 LMNA (0.41) ALDH1A1HTR3EHTR3BHTR3ABACE1
Hydrochloric Acid SCHEMBL586606 0.85 LMNA (0.41) ALDH1A1HTR3EHTR3BHTR3ABACE1
SCHEMBL10749817 0.85 ALDH1A1 (0.59) ALDH1A1HTR3EHTR3BHTR3ABACE1
SCHEMBL589560 0.84 SCN10A (0.70) ALDH1A1HTR3EHTR3BHTR3ABACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771441-B8 NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-02-15 EP disclosed
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US disclosed
EP-1771441-A1 NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS Boehringer Ingelheim International GmbH (DE) 2007-04-11 EP disclosed
EP-1575925-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2005-09-21 EP disclosed
WO-2005082895-A1 NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-09 WO disclosed
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-11-04 US disclosed
WO-2004056784-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 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 (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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 ALDH1A1 328/4885HTR3E 3946/4885HTR3B 3838/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 ALDH1A1 143/4885HTR3E 4103/4885HTR3B 4080/4885

“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.