SCHEMBL5532686

SCHEMBL5532686

O=C1c2c(O)c(=O)ccn2C(CCN2CCOCC2)CN1Cc1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP3A4 P08684 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.35
PPARG P37231 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
P2RX7 Q99572 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HTR3A P46098 1/20 0.35
MAPT P10636 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
SCHEMBL5528776 0.91 CACNA1G (0.36) SIGMAR1
SCHEMBL2900625 0.79 GAA (0.38) NPC1RAB9ASIGMAR1MAPK1GAA
SCHEMBL5523533 0.79 HTT (0.44) NPC1RAB9A
SCHEMBL5531634 0.75 HTT (0.38) KMT2A
SCHEMBL5523548 0.75 HTT (0.38) KMT2A
SCHEMBL5527819 0.75 SMN1; SMN2 (0.46) NPC1TDP1KMT2ALMNAHPGD
SCHEMBL13873904 0.74 MAPT (0.41) KMT2APPARGLMNAMAPT
SCHEMBL4315112 0.71 KMT2A (0.37) KMT2A
SCHEMBL6195239 0.71 ATM (0.43) NPC1RAB9AATMCYP3A4KMT2A
SCHEMBL4318944 0.71 LIPG (0.37) SIGMAR1

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 6 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-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 NPC1 4324/4885RAB9A 1733/4885ATM 4280/4885
US-20090099168-A1 HIV Integrase inhibitors DPYD, DUT, QDPR NPC1 4236/4885RAB9A 1781/4885ATM 4139/4885

“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.