SCHEMBL14129781

SCHEMBL14129781

CC(C)(C)OC(=O)Nc1cn2c(c(OCc3ccccc3)c1=O)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.39
CYP2C9 P11712 1/20 0.39
PTGER1 P34995 1/20 0.39
RORC P51449 2/20 0.38
P2RX7 Q99572 3/20 0.38
P2RX3 P56373 2/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
FSCN1 Q16658 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
PKM P14618 1/20 0.35
BRD4 O60885 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL4321093 0.91 SCD (0.41) SCDP2RX7LMNASMN1; SMN2L3MBTL1
SCHEMBL4321634 0.89 SCD (0.38) SCDPTGER1P2RX7P2RX3LMNA
SCHEMBL14129635 0.84 LMNA (0.38) SCDP2RX7P2RX3LMNASMN1; SMN2
SCHEMBL5061851 0.82 LMNA (0.36) SCDLMNASMN1; SMN2L3MBTL1NCOA3
SCHEMBL4323210 0.81 LMNA (0.41) SCDP2RX7LMNASMN1; SMN2L3MBTL1
SCHEMBL4321812 0.81 LMNA (0.41) SCDLMNASMN1; SMN2L3MBTL1NCOA3
SCHEMBL16185240 0.80 SCD (0.37) SCDCYP2C9PTGER1RORCP2RX7
SCHEMBL16185231 0.79 SCD (0.36) SCDCYP2C9PTGER1RORCP2RX7
SCHEMBL14140697 0.77 KDM4E (0.38) P2RX7P2RX3FSCN1KDM4EALDH1A1
SCHEMBL16185297 0.74 SCD (0.39) SCDCYP2C9LMNASMN1; SMN2L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161311-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2008-07-03 US disclosed
US-7211572-B2 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2007-05-01 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 (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-20080161311-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor DNTT, PNP, NNMT SCD 2857/4885CYP2C9 626/4885PTGER1 4030/4885

“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.