SCHEMBL4298458

SCHEMBL4298458

O=C(Cc1ccc2cc[nH]c2c1)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.67
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
NR1H4 Q96RI1 1/20 0.54
MAOB P27338 1/20 0.54
FAAH O00519 1/20 0.53
ROCK2 O75116 1/20 0.52
RORC P51449 1/20 0.51
WNT3A P56704 1/20 0.51
CACNA1H O95180 2/20 0.48
NOTUM Q6P988 1/20 0.48
GHSR Q92847 2/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 2/20 0.47
CACNA1G O43497 1/20 0.47
CACNA1I Q9P0X4 1/20 0.47
NPC1 O15118 2/20 0.47

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
SCHEMBL4296226 0.90 MAOB (0.63) NLRP3MEN1KMT2ANR1H4MAOB
SCHEMBL3400928 0.85 WNT3A (0.60) NLRP3WNT3A
SCHEMBL3425278 0.84 WNT3A (0.59) NLRP3MEN1KMT2AWNT3ACACNA1H
SCHEMBL6769497 0.82 MAOB (0.65) NLRP3MEN1KMT2ANR1H4MAOB
SCHEMBL27803480 0.81 NLRP3 (0.62) NLRP3MEN1KMT2ANR1H4MAOB
SCHEMBL3401571 0.81 NLRP3 (0.62) NLRP3MEN1KMT2AMAOBALDH1A1
SCHEMBL33524991 0.80 NLRP3 (1.00) NLRP3MAOBFAAH
SCHEMBL3425797 0.80 NLRP3 (0.60) NLRP3MEN1KMT2AMAOBNOTUM
SCHEMBL3401917 0.79 WNT3A (0.56) NLRP3MEN1KMT2AFAAHWNT3A
SCHEMBL4303906 0.79 NLRP3 (0.58) NLRP3MEN1KMT2AMAOBCACNA1H

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
EP-2250162-B1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-03-19 EP claimed
US-8536221-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC. (US) 2013-09-17 US claimed
US-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-29 US claimed
EP-2250162-B1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-03-19 EP disclosed
US-8536221-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC. (US) 2013-09-17 US disclosed
US-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-29 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 (1 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-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA2, CHRNA4, CHRNA5 NLRP3 1117/4885MEN1 4147/4885KMT2A 1090/4885

“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.