SCHEMBL14129883

SCHEMBL14129883

O=C(NCc1cccnc1)c1cn2c(c(O)c1=O)C(=O)N(Cc1cccc(Cl)c1)CC2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.52
ALDH1A1 P00352 5/20 0.49
NPC1 O15118 2/20 0.47
LMNA P02545 3/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
GFER P55789 1/20 0.44
GAA P10253 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SCD O00767 1/20 0.42

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
Hydrochloric Acid SCHEMBL4970969 0.99 NAMPT (0.51) NAMPTALDH1A1NPC1LMNAMAPK1
SCHEMBL4333858 0.90 TP53 (0.44) ALDH1A1LMNAHTTPOLBMAPT
SCHEMBL14129910 0.86 HPGD (0.46) ALDH1A1LMNASMN1; SMN2KDM4EMAPT
Hydrochloric Acid SCHEMBL4327826 0.85 HPGD (0.46) ALDH1A1LMNASMN1; SMN2KDM4EMAPT
SCHEMBL4319289 0.85 P2RX7 (0.42) ALDH1A1MAPK1HTTKDM4EMAPT
SCHEMBL4319973 0.84 KMT2A (0.43) MEN1KMT2ATP53
SCHEMBL4460290 0.84 KMT2A (0.41) LMNAMEN1KMT2ATP53
SCHEMBL14129892 0.84 P2RX7 (0.40) ALDH1A1MAPK1HTTKDM4EMAPT
Hydrochloric Acid SCHEMBL4319260 0.83 P2RX7 (0.39) ALDH1A1MAPK1HTTKDM4EMAPT
SCHEMBL4319220 0.80 PKM (0.43) ALDH1A1NPC1LMNAMAPK1HTT

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 4 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-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
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 NAMPT 154/4885ALDH1A1 1706/4885NPC1 698/4885

“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.