SCHEMBL5482781

SCHEMBL5482781

NC(c1ccccc1F)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 1/20 0.42
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
KDM1A O60341 2/20 0.35
KDM1B Q8NB78 1/20 0.35
TACR3 P29371 2/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
GAA P10253 1/20 0.35
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35

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
SCHEMBL2676471 1.00 MEN1 (0.42) MEN1ALDH1A1CYP3A4MAPTCYP2C9
Hydrochloric Acid SCHEMBL14862500 0.98 IDO1 (0.42) MEN1ALDH1A1CYP3A4MAPTCYP2C9
Hydrochloric Acid SCHEMBL16292824 0.98 IDO1 (0.42) MEN1ALDH1A1CYP3A4MAPTCYP2C9
SCHEMBL1036600 0.92 EPHX1 (0.38) MEN1ALDH1A1CYP3A4MAPTCYP2C9
SCHEMBL31521383 0.81 PDCD1LG2 (0.42) ALDH1A1CYP3A4
SCHEMBL31521342 0.81 PDCD1LG2 (0.42) ALDH1A1CYP3A4
SCHEMBL31521318 0.81 PDCD1LG2 (0.42) ALDH1A1CYP3A4
SCHEMBL3160302 0.77 EPHX1 (0.37) MEN1ALDH1A1CYP3A4MAPTCYP2C9
SCHEMBL24742095 0.76 PDE2A (0.40) ALDH1A1IDO1TDO2KDM1AKDM1B
SCHEMBL5485147 0.75 PDE2A (0.54) MEN1ALDH1A1CYP3A4MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025039979-A1 PROTEIN ARGININE METHYLTRANSFERASE-5 INHIBITOR AND PHARMACEUTICAL USE THEREOF 江苏亚虹医药科技股份有限公司 2025-02-27 WO disclosed
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed
US-9580390-B2 Indazole compounds as kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2017-02-28 US disclosed
US-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2014-12-18 US disclosed
EP-2766352-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (UHN) (CA) 2014-08-20 EP disclosed
US-20140051679-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERISTY HEALTH NETWORKS (CA) 2014-02-20 US disclosed
WO-2013053051-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2013-04-18 WO disclosed
US-20070142431-A1 Quinoline 4-carboxamide derivatives and their use as neurokinin 3 (nk-3) receptor antagonists SMITHKLINE BEECHAM CORPORATION 2007-06-21 US disclosed
US-20070142431-A1 Quinoline 4-carboxamide derivatives and their use as neurokinin 3 (nk-3) receptor antagonists SMITHKLINE BEECHAM CORPORATION 2007-06-21 US disclosed
US-20070142431-A1 Quinoline 4-carboxamide derivatives and their use as neurokinin 3 (nk-3) receptor antagonists SMITHKLINE BEECHAM CORPORATION 2007-06-21 US disclosed
EP-1651632-A1 QUINOLINE 4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS NEUROKININ 3 (NK-3) RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-03 EP disclosed
WO-2005014575-A1 QUINOLINE 4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS NEUROKININ 3 (NK-3) RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-17 WO 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 (3 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-20070142431-A1 Quinoline 4-carboxamide derivatives and their use as neurokinin 3 (nk-3) receptor antagonists TACR3, GRIK3, TACR2 MEN1 1498/4885ALDH1A1 3505/4885CYP3A4 844/4885
US-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME PLK4, PLK2, PLK3 MEN1 2669/4885ALDH1A1 2934/4885CYP3A4 1012/4885
US-20140051679-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K7, MAP3K1, MAP3K20 MEN1 1067/4885ALDH1A1 2710/4885CYP3A4 2763/4885

“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.