SCHEMBL160225

SCHEMBL160225

CC(C)NC(=O)c1c[c]ccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
MLYCD O95822 1/20 0.45
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
ERN1 O75460 2/20 0.40
HPGD P15428 2/20 0.39
GRM5 P41594 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 1/20 0.38
ROCK2 O75116 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP3A5 P20815 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
XDH P47989 1/20 0.38

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
SCHEMBL3316333 0.86 SLC1A2 (0.39) NPSR1ALDH1A1LMNACYP1A2HPGD
SCHEMBL3087004 0.85 ALDH1A1 (0.37) NPSR1ALDH1A1CYP1A2HPGDSMN1; SMN2
SCHEMBL161002 0.79 HDAC8 (0.48) HPGDSMN1; SMN2
SCHEMBL2883020 0.79 TSHR (0.38) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL6971199 0.79 NPSR1 (0.34) NPSR1ALDH1A1LMNACYP1A2CYP2C19
SCHEMBL159472 0.78 KMT2A (0.63) NPSR1MLYCDALDH1A1LMNAHPGD
SCHEMBL467358 0.77 MLYCD (0.55) NPSR1MLYCDALDH1A1LMNACYP1A2
SCHEMBL6159654 0.77 HDAC6 (0.56) ALOX15
SCHEMBL8593179 0.77 MLYCD (0.46) NPSR1MLYCDALDH1A1LMNACYP1A2
SCHEMBL24998749 0.77 MLYCD (0.58) NPSR1MLYCDALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US claimed
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-04-30 US claimed
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2017-12-28 US claimed
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP claimed
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2014-10-02 US claimed
EP-2611804-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP claimed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US claimed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP claimed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO claimed
US-7897609-B2 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US claimed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO claimed
US-20070219228-A1 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-20 US claimed
WO-2006038923-A2 ARYL SUBSTITUTED IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-04-13 WO claimed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
CN-116003409-A Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2023-04-25 CN disclosed
CN-107207493-B Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2023-01-20 CN disclosed
WO-2006038923-A2 ARYL SUBSTITUTED IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-04-13 WO disclosed
US-20060052361-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2006-03-09 US disclosed
EP-1544199-A1 NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2005-06-22 EP disclosed
US-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2005-03-10 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 (9 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-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor NNMT, PNP, DNTT NPSR1 3539/4885MLYCD 3296/4885ALDH1A1 2068/4885
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 NPSR1 688/4885MLYCD 2086/4885ALDH1A1 1273/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 NPSR1 688/4885MLYCD 2086/4885ALDH1A1 1273/4885
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD NPSR1 4764/4885MLYCD 1639/4885ALDH1A1 4785/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 NPSR1 1134/4885MLYCD 2087/4885ALDH1A1 994/4885
US-20060052361-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor NNMT, PNP, DNTT NPSR1 3539/4885MLYCD 3296/4885ALDH1A1 2068/4885
US-20070219228-A1 Aryl substituted imidazonaphthyridines IL2, IRF3, EIF2AK2 NPSR1 3296/4885MLYCD 1101/4885ALDH1A1 1178/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 NPSR1 1134/4885MLYCD 2087/4885ALDH1A1 994/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 NPSR1 688/4885MLYCD 2086/4885ALDH1A1 1273/4885

“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.