SCHEMBL4152957

SCHEMBL4152957

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.34
AKR1B1 P15121 1/20 0.34
KCNH2 Q12809 1/20 0.34
GRM2 Q14416 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL4148766 0.86 TP53 (0.41) MEN1KMT2ATP53ALDH1A1POLB
SCHEMBL4161758 0.85 TP53 (0.43) MEN1KMT2ATP53ALDH1A1POLB
SCHEMBL4161830 0.82 TP53 (0.41) MEN1KMT2ATP53ALDH1A1POLB
SCHEMBL4149939 0.80 SCD (0.43) TP53ALDH1A1POLBLMNATSHR
SCHEMBL4144150 0.80 SCD (0.44) MEN1KMT2ATP53ALDH1A1TSHR
SCHEMBL4159457 0.80 TP53 (0.39) MEN1KMT2ATP53ALDH1A1POLB
SCHEMBL4148598 0.79 TP53 (0.41) MEN1KMT2ATP53ALDH1A1POLB
SCHEMBL4141256 0.77 TP53 (0.39) MEN1KMT2ATP53ALDH1A1POLB
SCHEMBL4148650 0.77 TP53 (0.37) MEN1KMT2ATP53ALDH1A1POLB
SCHEMBL4159448 0.76 TP53 (0.36) MEN1KMT2ATP53ALDH1A1POLB

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 8 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
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 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-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 (3 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 MEN1 4138/4885KMT2A 552/4885TP53 1232/4885
US-20090099168-A1 HIV Integrase inhibitors DPYD, DUT, QDPR MEN1 4093/4885KMT2A 604/4885TP53 1169/4885
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof NTSR2, NTSR1, HNMT MEN1 206/4885KMT2A 977/4885TP53 4801/4885

“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.