SCHEMBL4149274

SCHEMBL4149274

O=C1c2c(O)c(=O)c(-c3cccnc3)cn2CCN1Cc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 3/20 0.48
GRM2 Q14416 2/20 0.40
KCNH2 Q12809 1/20 0.40
SCD O00767 1/20 0.40
LMNA P02545 5/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
HTT P42858 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
AKR1B1 P15121 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL14129917 0.85 P2RX7 (0.39) GRM2KCNH2LMNAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL4316088 0.84 P2RX7 (0.39) GRM2KCNH2LMNAALDH1A1SMN1; SMN2
SCHEMBL14129811 0.84 DHPS (0.43) DHPSPOLB
Hydrochloric Acid SCHEMBL4328181 0.83 DHPS (0.42) DHPSPOLB
SCHEMBL14129830 0.82 LMNA (0.40) GRM2KCNH2SCDLMNAALDH1A1
SCHEMBL14129941 0.81 MAP4K4 (0.38) GRM2KCNH2LMNAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL4326181 0.81 LMNA (0.40) GRM2KCNH2SCDLMNAALDH1A1
Hydrochloric Acid SCHEMBL4315579 0.80 MAP4K4 (0.38) GRM2KCNH2LMNAALDH1A1SMN1; SMN2
SCHEMBL4328644 0.79 NPC1 (0.43) GRM2KCNH2SCDLMNAALDH1A1
SCHEMBL4149939 0.79 SCD (0.43) DHPSSCDLMNAALDH1A1POLB

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 DHPS 20/4885GRM2 3168/4885KCNH2 666/4885
US-20090099168-A1 HIV Integrase inhibitors DPYD, DUT, QDPR DHPS 20/4885GRM2 3764/4885KCNH2 722/4885

“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.