SCHEMBL4496912

SCHEMBL4496912

Oc1c(Cl)cc(-c2ncnn2Cc2ccc(OC(F)(F)F)cc2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B13 Q7Z5P4 2/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
SCN5A Q14524 1/20 0.41
PPARD Q03181 4/20 0.39
PPARA Q07869 4/20 0.39
PPARG P37231 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GCGR P47871 3/20 0.38
GIPR P48546 1/20 0.38
MBOAT4 Q96T53 1/20 0.38
HTR2C P28335 1/20 0.38
ABL1 P00519 3/20 0.38
BCR P11274 3/20 0.38
PDE2A O00408 1/20 0.38
DGAT1 O75907 1/20 0.38
P2RX7 Q99572 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
SCHEMBL4516945 0.89 HSD17B13 (0.42) HSD17B13PPARAPPARGHDAC1HDAC6
SCHEMBL4505012 0.84 HDAC1 (0.44) PPARDPPARAPPARGHDAC1HDAC6
SCHEMBL4372432 0.74 HSD17B13 (0.43) HSD17B13HDAC1HDAC6PDE2AP2RX7
SCHEMBL3235731 0.69 AKR1C2 (0.43) HSD17B13AKR1C2AKR1C1GCGRABL1
SCHEMBL3318427 0.68 TSHR (0.45) SCN5APPARDPPARAMBOAT4HTR2C
SCHEMBL3319310 0.67 TSHR (0.42) SCN5APPARDPPARAPPARGMBOAT4
SCHEMBL1491072 0.67 KDM4E (0.58) SCN5APPARDPPARAPPARGMBOAT4
SCHEMBL3604297 0.66 ALDH1A1 (0.46) SCN5APPARDPPARAPPARGHTR2C
SCHEMBL3318423 0.66 TSHR (0.43) SCN5APPARDPPARAMBOAT4HTR2C
SCHEMBL3316523 0.65 MBOAT4 (0.43) SCN5APPARDPPARAMBOAT4HTR2C

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-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 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-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 HSD17B13 924/4885AKR1C2 396/4885AKR1C1 581/4885

“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.