SCHEMBL4148598

SCHEMBL4148598

CC(c1cn2c(c(O)c1=O)C(=O)N(Cc1ccc(F)cc1)CC2)N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
MCHR1 Q99705 5/20 0.38
HTR2C P28335 4/20 0.38
AKR1B1 P15121 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KCNH2 Q12809 1/20 0.35
GRM2 Q14416 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
SCHEMBL4148650 0.91 TP53 (0.37) TP53AKR1B1MEN1KMT2ARAB9A
SCHEMBL4161830 0.87 TP53 (0.41) TP53AKR1B1MEN1KMT2ARAB9A
SCHEMBL4161758 0.86 TP53 (0.43) TP53MCHR1HTR2CAKR1B1MEN1
SCHEMBL4159457 0.84 TP53 (0.39) TP53MCHR1AKR1B1MEN1KMT2A
SCHEMBL4148766 0.84 TP53 (0.41) TP53MCHR1HTR2CAKR1B1MEN1
SCHEMBL4141256 0.81 TP53 (0.39) TP53MCHR1HTR2CAKR1B1MEN1
SCHEMBL4159448 0.81 TP53 (0.36) TP53MCHR1AKR1B1MEN1KMT2A
SCHEMBL4148600 0.80 TP53 (0.38) TP53MCHR1HTR2CAKR1B1MEN1
SCHEMBL4330842 0.79 TP53 (0.44) TP53AKR1B1MEN1KMT2ARAB9A
SCHEMBL4152957 0.79 MEN1 (0.39) TP53MCHR1AKR1B1MEN1KMT2A

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 TP53 1232/4885MCHR1 4264/4885HTR2C 2878/4885
US-20090099168-A1 HIV Integrase inhibitors DPYD, DUT, QDPR TP53 1169/4885MCHR1 4111/4885HTR2C 2885/4885

“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.