SCHEMBL6815365

SCHEMBL6815365

O=C(c1ccc([N+](=O)[O-])cc1C(F)(F)F)N1CCCC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.67
POLB P06746 2/20 0.67
ALDH1A1 P00352 6/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
HPGD P15428 2/20 0.59
SLC6A9 P48067 5/20 0.52
RXFP1 Q9HBX9 1/20 0.49
SLC6A5 Q9Y345 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 4/20 0.48
HTT P42858 1/20 0.46

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
SCHEMBL4932718 0.88 L3MBTL1 (0.54) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL20569608 0.85 KMT2A (0.58) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL102797 0.79 ALDH1A1 (0.60) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3427781 0.79 MAPT (0.72) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL3426210 0.79 MAPT (0.72) MAPTPOLBALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL3141636 0.78 ALDH1A1 (0.58) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL19461342 0.78 POLB (0.46) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL10126582 0.78 MAPT (0.70) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL3911494 0.78 MAPT (0.70) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL4029063 0.78 MAPT (0.70) MAPTPOLBALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077729-A1 New carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-04-22 US disclosed
WO-2004013115-A2 CARBOXAMIDES, PRODUCTION AND USE THEREOF AS MEDICAMENTS____ BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-02-12 WO disclosed
EP-1360170-A1 CARBOXYLIC AMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-11-12 EP disclosed
US-20020151595-A1 Carboxylic acid amides having antithrombotic activity BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US disclosed
WO-2002062748-A1 CARBOXYLIC AMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 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-20040077729-A1 New carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions F2, F11, F12 MAPT 4082/4885POLB 3059/4885ALDH1A1 200/4885
US-20020151595-A1 Carboxylic acid amides having antithrombotic activity SERPINC1, TFPI, F2 MAPT 4378/4885POLB 3255/4885ALDH1A1 112/4885

“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.