SCHEMBL5537087

SCHEMBL5537087

O=C1c2c(OCc3ccccc3)c(=O)c(I)cn2CCN1Cc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
HTT P42858 3/20 0.47
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ENPP2 Q13822 1/20 0.39
AKR1B1 P15121 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL5531193 0.84 LMNA (0.49) LMNASMN1; SMN2L3MBTL1NCOA3HTT
SCHEMBL4149319 0.84 LMNA (0.51) LMNASMN1; SMN2L3MBTL1NCOA3HTT
SCHEMBL5529441 0.82 SMN1; SMN2 (0.56) LMNASMN1; SMN2L3MBTL1NCOA3HTT
SCHEMBL5525471 0.82 LMNA (0.47) LMNASMN1; SMN2L3MBTL1NCOA3HTT
SCHEMBL3983952 0.79 LMNA (0.48) LMNASMN1; SMN2L3MBTL1NCOA3HTT
SCHEMBL4328859 0.77 LMNA (0.41) LMNASMN1; SMN2L3MBTL1NCOA3HTT
SCHEMBL4323210 0.77 LMNA (0.41) LMNASMN1; SMN2L3MBTL1NCOA3HTT
SCHEMBL4321812 0.77 LMNA (0.41) LMNASMN1; SMN2L3MBTL1NCOA3HTT
SCHEMBL4323532 0.75 SIGMAR1 (0.41) LMNASMN1; SMN2L3MBTL1NCOA3HTT
SCHEMBL4335749 0.74 P2RX7 (0.42) LMNASMN1; SMN2L3MBTL1NCOA3ALDH1A1

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 3 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 disclosed
EP-1725554-A1 HIV INTEGRASE INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2006-11-29 EP disclosed
WO-2005087766-A1 HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2005-09-22 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-20070161639-A1 Hiv integrase inhibitors DPYD, DUT, TYMP LMNA 2868/4885SMN1; SMN2 3997/4885L3MBTL1 1226/4885

“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.