SCHEMBL3795152

SCHEMBL3795152

O=C(Cc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)NCCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.40
GLA P06280 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 3/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LTA4H P09960 1/20 0.37
EPHX2 P34913 1/20 0.37
LMNA P02545 3/20 0.36
HDAC4 P56524 1/20 0.36
GAA P10253 2/20 0.36
POLB P06746 2/20 0.36
PLA2G1B P04054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3790970 0.91 ALDH1A1 (0.46) TSHRTP53ALDH1A1HPGDL3MBTL1
SCHEMBL3696257 0.88 ALDH1A1 (0.40) TSHRKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL3790522 0.84 MAPT (0.41) KDM4EHSD17B10TP53ALDH1A1HPGD
SCHEMBL3791361 0.84 KDM4E (0.54) TSHRKDM4EHSD17B10TP53ALDH1A1
SCHEMBL3708239 0.84 GLS (0.40) TSHRKDM4EHSD17B10TP53ALDH1A1
SCHEMBL3785377 0.84 ERN1 (0.35)
SCHEMBL3687351 0.83 ERN1 (0.40) KDM4EALDH1A1L3MBTL1POLBTDP1
SCHEMBL3795049 0.83 HDAC4 (0.36) HDAC4
SCHEMBL3784194 0.83 ERN1 (0.35) GLAKDM4EALDH1A1HDAC4SMN1; SMN2
SCHEMBL3786102 0.82 CNR1 (0.39) KDM4ETP53EPHX2

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
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 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 (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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections OAT, HAVCR2, CPS1 TSHR 4542/4885GLA 3979/4885KDM4E 2131/4885

“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.