SCHEMBL4149939

SCHEMBL4149939

CC(NCc1cccnc1)c1cn2c(c(O)c1=O)C(=O)N(Cc1ccc(F)cc1)CC2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.43
GAA P10253 1/20 0.38
NAMPT P43490 2/20 0.38
TP53 P04637 2/20 0.37
DHPS P49366 1/20 0.36
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL4144150 0.85 SCD (0.44) SCDTP53TSHRALDH1A1
SCHEMBL4148766 0.82 TP53 (0.41) TP53POLBALDH1A1
SCHEMBL4161758 0.81 TP53 (0.43) TP53POLBALDH1A1
SCHEMBL4152957 0.80 MEN1 (0.39) TP53TSHRPOLBALDH1A1LMNA
SCHEMBL4161830 0.79 TP53 (0.41) TP53POLBALDH1A1LMNA
SCHEMBL4149274 0.79 DHPS (0.48) SCDTP53DHPSPOLBALDH1A1
SCHEMBL4159457 0.76 TP53 (0.39) TP53POLBALDH1A1LMNA
SCHEMBL4148598 0.76 TP53 (0.41) TP53POLBALDH1A1
SCHEMBL4141256 0.73 TP53 (0.39) TP53POLBALDH1A1
SCHEMBL4148650 0.73 TP53 (0.37) TP53POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161639-A1 Hiv integrase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-07-12 US claimed
EP-1725554-A1 HIV INTEGRASE INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2006-11-29 EP claimed
WO-2005087766-A1 HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2005-09-22 WO claimed
US-20090099168-A1 HIV Integrase inhibitors DONGHI MONICA 2009-04-16 US disclosed
US-20090099168-A1 HIV Integrase inhibitors DONGHI MONICA 2009-04-16 US disclosed
US-20090099168-A1 HIV Integrase inhibitors DONGHI MONICA 2009-04-16 US disclosed
US-20070161639-A1 Hiv integrase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-07-12 US disclosed
US-20070161639-A1 Hiv integrase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-07-12 US disclosed
US-20070161639-A1 Hiv integrase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-07-12 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 (2 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-20070161639-A1 Hiv integrase inhibitors DPYD, DUT, TYMP SCD 1776/4885GAA 912/4885NAMPT 972/4885
US-20090099168-A1 HIV Integrase inhibitors DPYD, DUT, QDPR SCD 1855/4885GAA 1323/4885NAMPT 996/4885

“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.