SCHEMBL9304492

SCHEMBL9304492

O=C(Nc1ccccc1)C1(C(=O)Nc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
TP53 P04637 1/20 0.54
EPHX1 P07099 1/20 0.54
EPHX2 P34913 1/20 0.54
CDK9 P50750 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SPHK1 Q9NYA1 6/20 0.53
NAPRT Q6XQN6 1/20 0.50
HSD17B10 Q99714 1/20 0.50
FAAH O00519 1/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL106428 0.92 SPHK1 (0.50) TSHRTP53EPHX1EPHX2CDK9
SCHEMBL19026945 0.91 SPHK1 (0.50) TSHRTP53EPHX1EPHX2CDK9
SCHEMBL17993520 0.91 NAPRT (0.47) TSHRTP53EPHX1EPHX2CDK9
SCHEMBL10202156 0.91 TSHR (0.48) TSHRTP53EPHX1EPHX2CDK9
SCHEMBL24444629 0.89 LMNA (0.58) TP53SMN1; SMN2MEN1KMT2ASPHK1
SCHEMBL558092 0.89 POLB (0.55) MEN1KMT2ASPHK1FAAH
SCHEMBL14817483 0.88 NAPRT (0.53) TSHRTP53EPHX1EPHX2CDK9
SCHEMBL307975 0.88 SPHK1 (0.55) TSHRTP53EPHX1EPHX2CDK9
SCHEMBL138295 0.88 MEN1 (0.51) TSHRTP53EPHX1EPHX2CDK9
SCHEMBL25474863 0.88 SPHK1 (0.58) EPHX2MEN1KMT2ASPHK1LMNA

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
WO-2024150252-A1 PYRAZOLIDINE-3, 5-DIONE BASED COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2024-07-18 WO disclosed
EP-2768796-B1 PROCESS FOR PREPARING QUINOLINE DERIVATIVES EXELIXIS INC (US) 2019-11-20 EP disclosed
US-9969692-B2 Process for preparing quinoline derivatives EXELIXIS, INC. (US) 2018-05-15 US disclosed
US-9969692-B2 Process for preparing quinoline derivatives EXELIXIS, INC. (US) 2018-05-15 US disclosed
US-20160229805-A1 Process for Preparing Quinoline Derivatives EXELIXIS, INC. 2016-08-11 US disclosed
US-9365516-B2 Process for preparing quinoline derivatives EXELIXIS, INC. (US) 2016-06-14 US disclosed
US-20140256938-A1 Process for Preparing Quinoline Derivatives EXELIXIS, INC. 2014-09-11 US disclosed
US-5334747-A Reacting substituted malonic acid dialkyl ester with aniline in presence of stoichiometric amount of alkali alcoholate, neutralizing product with acid, saponifying with water HULS AKTIENGESELLSCHAFT (DE) 1994-08-02 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 (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-20160229805-A1 Process for Preparing Quinoline Derivatives C5, C1S, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TSHR 1070/4885TP53 2433/4885EPHX1 1401/4885
US-20140256938-A1 Process for Preparing Quinoline Derivatives C5, C1S, C1R TSHR 1007/4885TP53 2328/4885EPHX1 1455/4885

“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.