SCHEMBL17459997

SCHEMBL17459997

C=CCOc1ncccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.42
▸ CHRNB2 P17787 2/20 0.35
▸ CHRNB4 P30926 2/20 0.35
▸ CHRNA3 P32297 2/20 0.35
▸ CHRNA4 P43681 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ SQOR Q9Y6N5 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LIG1 P18858 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.33
▸ MAPK1 P28482 2/20 0.33

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
SCHEMBL29960349 0.84 KDM4E (0.41) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL3817197 0.79 HPGD (0.45) MAPTSQORCA12CA1CA9
SCHEMBL19128485 0.78 HPGD (0.41) MAPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20587874 0.78 MAPT (0.42) MAPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11209909 0.78 MAPT (0.42) MAPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7751128 0.78 MAPT (0.42) MAPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18714305 0.76 MAPT (0.41) MAPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10731953 0.75 CA1 (0.47) MAPTCA12CA1CA2CA7
SCHEMBL1842773 0.75 HPGD (0.53) LMNASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL27194714 0.75 SMN1; SMN2 (0.38) MAPTLMNASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204092-A1 4,5-DIHYDROISOXAZOLE DERIVATIVES AS NAMPT INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2017-07-20 — — US disclosed
US-20170204092-A1 4,5-DIHYDROISOXAZOLE DERIVATIVES AS NAMPT INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2017-07-20 — — US disclosed
US-20170204092-A1 4,5-DIHYDROISOXAZOLE DERIVATIVES AS NAMPT INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2017-07-20 — — US disclosed
EP-3172205-A1 4,5-DIHYDROISOXAZOLE DERIVATIVES AS NAMPT INHIBITORS Aurigene Discovery Technologies Limited (IN) 2017-05-31 — — EP disclosed
CN-106661013-A 4,5-dihydroisoxazole derivatives as NAMPT inhibitors 奥瑞基尼探索技术有限公司 2017-05-10 — — CN disclosed
WO-2016012958-A1 4,5-DIHYDROISOXAZOLE DERIVATIVES AS NAMPT INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-01-28 — — WO disclosed
WO-2016012958-A1 4,5-DIHYDROISOXAZOLE DERIVATIVES AS NAMPT INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-01-28 — — 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 (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-20170204092-A1 4,5-DIHYDROISOXAZOLE DERIVATIVES AS NAMPT INHIBITORS NAMPT, NNT, NAPRT MAPT 1390/4885CHRNB2 2540/4885CHRNB4 1859/4885

“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.

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