SCHEMBL17434591

SCHEMBL17434591

Oc1cc(Cl)c2nc(Cl)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
ESR1 P03372 6/20 0.40
ESR2 Q92731 5/20 0.40
AR P10275 1/20 0.38
PLAU P00749 1/20 0.35
TTR P02766 2/20 0.33
ABL1 P00519 1/20 0.32
ABCB1 P08183 1/20 0.32
BCR P11274 1/20 0.32
CYP1A2 P05177 1/20 0.32
NQO2 P16083 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL25911523 0.80 ESR1 (0.42) ESR1ESR2PLAU
SCHEMBL10915701 0.78 ALDH1A1 (0.38) HSD17B10CRHBPCRHR2CYP3A4ALDH1A1
SCHEMBL31026244 0.77 BACE1 (0.35) CRHBPCRHR2ARCYP1A2
SCHEMBL29241814 0.75 CRHBP (0.31) CRHBPCRHR2
SCHEMBL3565423 0.72 ALDH1A1 (0.58) CYP3A4HPGDCYP1A2ALDH1A1
SCHEMBL29241832 0.72 SLC40A1 (0.31) CYP1A2NQO2
SCHEMBL11060367 0.72 NR4A2 (0.37) HSD17B10CRHBPCRHR2CYP3A4HPGD
SCHEMBL31058638 0.71 HPGDS (0.37)
SCHEMBL31026254 0.71 HPGDS (0.37)
SCHEMBL7935896 0.70 CRHBP (0.38) HSD17B10CRHBPCRHR2CYP3A4PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3169675-B1 A QUINOLINE DERIVATIVE FOR THE TREATMENT OF INFLAMMATORY DISEASES AND AIDS ABIVAX (FR) 2018-09-19 EP disclosed
US-20170197938-A1 A QUINOLINE DERIVATIVE FOR THE TREATMENT OF INFLAMMATORY DISEASES AND AIDS ABIVAX (FR) 2017-07-13 US disclosed
US-20170197938-A1 A QUINOLINE DERIVATIVE FOR THE TREATMENT OF INFLAMMATORY DISEASES AND AIDS ABIVAX (FR) 2017-07-13 US disclosed
US-20170197938-A1 A QUINOLINE DERIVATIVE FOR THE TREATMENT OF INFLAMMATORY DISEASES AND AIDS ABIVAX (FR) 2017-07-13 US disclosed
EP-3169675-A1 A QUINOLINE DERIVATIVE FOR THE TREATMENT OF INFLAMMATORY DISEASES AND AIDS ABIVAX (FR) 2017-05-24 EP disclosed
WO-2016009066-A1 A QUINOLINE DERIVATIVE FOR THE TREATMENT OF INFLAMMATORY DISEASES AND AIDS ABIVAX (FR) 2016-01-21 WO disclosed
EP-2975034-A1 A quinoline derivative for the treatment of inflammatory diseases and AIDS ABIVAX (FR) 2016-01-20 EP disclosed
EP-2975034-A1 A quinoline derivative for the treatment of inflammatory diseases and AIDS ABIVAX (FR) 2016-01-20 EP 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-20170197938-A1 A QUINOLINE DERIVATIVE FOR THE TREATMENT OF INFLAMMATORY DISEASES AND AIDS IL17A, IL1B, IL1A HSD17B10 756/4885CRHBP 4389/4885CRHR2 3964/4885

“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.