SCHEMBL7899808

SCHEMBL7899808

[C-]#[N+]c1c(SC)nc(-c2ccc(OC)cc2)nc1-n1ccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.42
KMT2A Q03164 6/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
LMNA P02545 8/20 0.38
CYP1A2 P05177 8/20 0.38
CYP3A4 P08684 8/20 0.38
CYP2D6 P10635 7/20 0.38
CYP2C19 P33261 7/20 0.38
TP53 P04637 4/20 0.38
CLK4 Q9HAZ1 4/20 0.38
MEN1 O00255 4/20 0.38
USP2 O75604 4/20 0.38
CYP2C9 P11712 2/20 0.38
TSHR P16473 2/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL4786819 0.80 ALDH1A1 (0.49) TDP1KMT2AKDM4EALDH1A1MAOA
SCHEMBL7898400 0.76 HTR1A (0.44) KMT2AKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL7892613 0.76 PIK3CA (0.53) TDP1KMT2AKDM4EALDH1A1MEN1
SCHEMBL7899744 0.74 ALDH1A1 (0.44) KMT2AKDM4EALDH1A1LMNACYP3A4
SCHEMBL7900197 0.72 SYK (0.40) KMT2AKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL7899961 0.72 GABRP (0.38) KMT2AKDM4EALDH1A1LMNATP53
SCHEMBL7898100 0.67 FOS (0.36) KMT2ATP53MEN1TSHRMAPT
SCHEMBL4787080 0.66 LMNA (0.50) TDP1KMT2AKDM4EALDH1A1LMNA
SCHEMBL7899726 0.65 RELA (0.52) MAPT
SCHEMBL285074 0.64 CYP11B1 (0.73) KMT2AALDH1A1MAOAMAOBCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 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-20080221103-A1 New heterocyclic compounds LOXL4, CXCR4, LTC4S TDP1 443/4885KMT2A 4045/4885KDM4E 1998/4885

“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.