SCHEMBL3707900

SCHEMBL3707900

O=C1Cc2ccccc2C=N[N]1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 10/20 0.46
CYP1A2 P05177 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 1/20 0.37
CYP2A6 P11509 1/20 0.33
IP6K1 Q92551 1/20 0.33
IP6K3 Q96PC2 1/20 0.33
BCHE P06276 1/20 0.32
CES1 P23141 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
RNASEH1 O60930 1/20 0.32
AHR P35869 1/20 0.31
PDK2 Q15119 1/20 0.31

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
SCHEMBL29911790 0.79 TRPA1 (0.59) TRPA1CYP1A2MAOAMAOBCYP2A6
SCHEMBL642263 0.79 TRPA1 (0.59) TRPA1CYP1A2MAOAMAOBCYP2A6
Hydrochloric Acid SCHEMBL11023474 0.78 TRPA1 (0.57) TRPA1CYP1A2MAOAMAOBCYP2A6
SCHEMBL555661 0.68 ALOX15 (0.39) MAOAMAOBBCHECES1
SCHEMBL6127702 0.68 CYP1A2 (0.38) TRPA1CYP1A2MAOAMAOBCYP2A6
SCHEMBL6274084 0.68 CYP1A2 (0.38) TRPA1CYP1A2MAOAMAOBCYP2A6
SCHEMBL6997599 0.68 TRPA1 (0.46) TRPA1MAOAMAOBCYP11B1CYP11B2
SCHEMBL7500741 0.67 MAOA (0.44) TRPA1MAOAMAOB
SCHEMBL2940889 0.67 TRPA1 (0.44) TRPA1CYP1A2MAOAMAOBIP6K1
SCHEMBL14361835 0.67 TRPA1 (0.53) TRPA1CYP1A2MAOAMAOBCYP11B1

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 US claimed
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US claimed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 US claimed
US-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 US disclosed
EP-2776393-B1 NAMPT INHIBITORS ABBVIE INC (US) 2017-12-20 EP disclosed
US-9758511-B2 NAMPT inhibitors ABBVIE INC. (US) 2017-09-12 US disclosed
US-20170253562-A1 Nampt Inhibitors ABBVIE INC (US) 2017-09-07 US disclosed
US-20170135994-A9 NAMPT INHIBITORS ABBVIE INC. (US) 2017-05-18 US disclosed
US-20170065575-A1 NAMPT INHIBITORS ABBVIE INC (US) 2017-03-09 US disclosed
US-20160193209-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2016-07-07 US disclosed
US-20160184281-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2016-06-30 US disclosed
WO-2013170113-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 WO disclosed
WO-2013170118-A1 THIAZOLECARBOXAMIDE DERIVATIVES FOR USE AS NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 WO disclosed
EP-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 EP disclosed
EP-2640704-A1 NAMPT INHIBITORS Abbvie Inc. (US) 2013-09-25 EP disclosed
WO-2013067710-A1 NAMPT INHIBITORS ABBOTT LABORATORIES (US) 2013-05-16 WO disclosed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
WO-2012067963-A1 NAMPT INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122924-A1 NAMPT INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 US disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 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 (8 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-20120122924-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT TRPA1 4538/4885CYP1A2 4236/4885MAOA 497/4885
US-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK TRPA1 3664/4885CYP1A2 3392/4885MAOA 592/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 TRPA1 4631/4885CYP1A2 4188/4885MAOA 280/4885
US-20170253562-A1 Nampt Inhibitors NAMPT, NNMT, NAPRT TRPA1 4538/4885CYP1A2 4236/4885MAOA 497/4885
US-20170065575-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT TRPA1 4538/4885CYP1A2 4236/4885MAOA 497/4885
US-20160184281-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT TRPA1 4538/4885CYP1A2 4236/4885MAOA 497/4885
US-20170135994-A9 NAMPT INHIBITORS NAMPT, NNMT, NAPRT TRPA1 4538/4885CYP1A2 4236/4885MAOA 497/4885
US-20160193209-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT TRPA1 4538/4885CYP1A2 4236/4885MAOA 497/4885

“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.