SCHEMBL1899098

SCHEMBL1899098

O=C(O)c1cc(-c2ccccc2)nc2ccc(Br)cc12

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 6/20 0.79
▸ DHODH Q02127 4/20 0.71
▸ KDM4E B2RXH2 4/20 0.69
▸ LMNA P02545 1/20 0.69
▸ SMN1; SMN2 Q16637 1/20 0.69
▸ PDE10A Q9Y233 1/20 0.69
▸ HSD17B10 Q99714 3/20 0.69
▸ ALDH1A1 P00352 2/20 0.69
▸ EPRS1 P07814 2/20 0.68
▸ KMT2A Q03164 5/20 0.65
▸ MEN1 O00255 4/20 0.65
▸ PPARG P37231 3/20 0.65
▸ NCOR2 Q9Y618 3/20 0.65
▸ POLB P06746 2/20 0.65
▸ ESR1 P03372 1/20 0.65
▸ PLA2G1B P04054 1/20 0.65
▸ MAPT P10636 1/20 0.65
▸ HPGD P15428 1/20 0.65
▸ ALOX15 P16050 1/20 0.65
▸ RECQL P46063 1/20 0.65

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
SCHEMBL12237494 0.97 RXFP1 (0.75) RXFP1DHODHKDM4ELMNASMN1; SMN2
SCHEMBL117430 0.92 EPRS1 (0.79) RXFP1DHODHKDM4ELMNAHSD17B10
SCHEMBL12237496 0.92 RXFP1 (0.67) RXFP1DHODHKDM4ELMNASMN1; SMN2
SCHEMBL1898124 0.90 KDM4E (0.72) RXFP1DHODHKDM4ELMNASMN1; SMN2
SCHEMBL7814193 0.88 GAA (0.71) RXFP1DHODHKDM4EHSD17B10ALDH1A1
SCHEMBL5530291 0.88 EPRS1 (0.85) RXFP1DHODHKDM4ELMNAHSD17B10
SCHEMBL7821284 0.88 KMT2A (0.81) RXFP1DHODHKDM4ELMNASMN1; SMN2
SCHEMBL5838639 0.87 DHODH (0.74) RXFP1DHODHKDM4EHSD17B10ALDH1A1
SCHEMBL18320549 0.87 DHODH (0.76) RXFP1DHODHKDM4EHSD17B10ALDH1A1
SCHEMBL12237416 0.87 RXFP1 (0.65) RXFP1DHODHKDM4ELMNASMN1; SMN2

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
US-20220169640-A1 PRODUCTION METHOD OF QUINOLINECARBOXAMIDE DERIVATIVE OR PRODUCTION INTERMEDIATE THEREOF KABUSHIKI KAISHA YAKULT HONSHA (JP) 2022-06-02 — — US disclosed
EP-3943159-A1 PRODUCTION METHOD OF QUINOLINECARBOXAMIDE DERIVATIVE OR PRODUCTION INTERMEDIATE THEREOF Kabushiki Kaisha Yakult Honsha (JP) 2022-01-26 — — EP disclosed
WO-2020196327-A1 PRODUCTION METHOD OF QUINOLINECARBOXAMIDE DERIVATIVE OR PRODUCTION INTERMEDIATE THEREOF 株式会社ヤクルト本社 2020-10-01 — — WO disclosed
EP-2325181-B1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT GENERAL INCORPORATED ASS PHARMA VALLEY PROJECT SUPPORTING ORGANIZATION (JP) 2017-03-29 — — EP disclosed
US-8466290-B2 STAT3 inhibitor containing quinolinecarboxamide derivative as active ingredient PHARMA IP GENERAL INCORPORATED ASSOCIATION (JP) 2013-06-18 — — US disclosed
US-20110172429-A1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT PHARMA IP GENERAL INCORPORATED ASSOCIATION (JP) 2011-07-14 — — US disclosed
CN-102099352-A STAT3 inhibitor containing quinolinecarboxamide derivative as active ingredient PHARMA IP GENERAL INC ASS 2011-06-15 — — CN disclosed
EP-2325181-A1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT Pharma Ip General Incorporated Association (JP) 2011-05-25 — — 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 (2 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-20220169640-A1 PRODUCTION METHOD OF QUINOLINECARBOXAMIDE DERIVATIVE OR PRODUCTION INTERMEDIATE THEREOF BCKDK, CBR3, NQO2 RXFP1 2121/4885DHODH 45/4885KDM4E 363/4885
US-20110172429-A1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT STAT3, STAT4, STAT5B RXFP1 97/4885DHODH 3326/4885KDM4E 532/4885

“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.

Send feedback