SCHEMBL174425

SCHEMBL174425

O=S(=O)(c1ccccc1)c1ccc(Cn2ccc(-c3ccncc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 3/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
HPGD P15428 3/20 0.44
RAB9A P51151 3/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
CYP2C9 P11712 2/20 0.43
PTGS2 P35354 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40

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
SCHEMBL173875 0.82 NPC1 (0.41) KDM4ENPC1ALDH1A1LMNAHPGD
SCHEMBL7494123 0.75 RAB9A (0.68) KDM4ENPC1ALDH1A1LMNAHPGD
SCHEMBL27923228 0.74 CA12 (0.65) PTGS2MAPTTDP1CA12CA1
SCHEMBL27941848 0.73 CCNC (0.48) LMNACYP2C9MAPTSMN1; SMN2TDP1
SCHEMBL4313180 0.73 NPC1 (0.57) KDM4ENPC1ALDH1A1LMNAHPGD
SCHEMBL25379538 0.73 KDM4E (0.48) KDM4ENPC1ALDH1A1LMNAHPGD
SCHEMBL31128113 0.70 LMNA (0.57) KDM4ENPC1ALDH1A1LMNAHPGD
SCHEMBL24336253 0.70 LMNA (0.50) KDM4ENPC1ALDH1A1LMNARAB9A
SCHEMBL19742865 0.70 CYP11B1 (0.68) CYP3A4MAPTCYP2D6
SCHEMBL29543201 0.69 CA1 (0.39) KDM4ENPC1ALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103384668-B compounds and compositions for inhibition of NAMPT 福马TM有限责任公司 2017-05-31 CN claimed
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2025-06-24 US disclosed
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 US disclosed
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2021-08-12 US disclosed
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US disclosed
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-10-29 US disclosed
US-20190105307-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2019-04-11 US disclosed
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2014-10-02 US disclosed
EP-2611804-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP disclosed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 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 (7 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-20190105307-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 KDM4E 2133/4885NPC1 123/4885ALDH1A1 1273/4885
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NNT KDM4E 1401/4885NPC1 161/4885ALDH1A1 984/4885
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 KDM4E 1325/4885NPC1 174/4885ALDH1A1 994/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 KDM4E 2133/4885NPC1 123/4885ALDH1A1 1273/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 KDM4E 1325/4885NPC1 174/4885ALDH1A1 994/4885
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 KDM4E 1325/4885NPC1 174/4885ALDH1A1 994/4885
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 KDM4E 2133/4885NPC1 123/4885ALDH1A1 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.