SCHEMBL3240380

SCHEMBL3240380

Oc1c(Cl)cc(-n2cn[c]n2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41
RECQL P46063 2/20 0.41
TTR P02766 3/20 0.37
THRB P10828 2/20 0.34
ALOX15 P16050 2/20 0.33
ALOX12 P18054 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HIF1A Q16665 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NOTUM Q6P988 2/20 0.33
HPGD P15428 2/20 0.31
MAPK1 P28482 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
SLC22A2 O15244 1/20 0.31

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
SCHEMBL7223302 0.80 NOTUM (0.38) TSHRNOTUMCHRM1
SCHEMBL23451696 0.78 NOTUM (0.51) ALDH1A1ALOX12SMN1; SMN2NOTUMLMNA
SCHEMBL7227830 0.67 NOTUM (0.44) TSHRALDH1A1ALOX12SMN1; SMN2NOTUM
SCHEMBL4559227 0.63 F9 (0.36) HSD17B10TSHRALDH1A1CYP3A4RECQL
SCHEMBL7762159 0.63 NOTUM (0.42) TSHRALDH1A1ALOX15SMN1; SMN2NOTUM
SCHEMBL2215697 0.62 NOTUM (0.49) ALDH1A1TTRSMN1; SMN2NOTUMPOLB
SCHEMBL8872103 0.62 HSD17B10 (1.00) HSD17B10TSHRALDH1A1CYP3A4RECQL
SCHEMBL184648 0.62 HSD17B10 (1.00) HSD17B10TSHRALDH1A1CYP3A4RECQL
SCHEMBL12263160 0.61 NOTUM (0.55) TTRSMN1; SMN2NOTUMPOLBMAPT
SCHEMBL2808115 0.60 HSD17B10 (0.93) HSD17B10TSHRALDH1A1CYP3A4RECQL

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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 HSD17B10 1275/4885TSHR 2802/4885ALDH1A1 2115/4885

“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.