SCHEMBL12367289

SCHEMBL12367289

Cc1ccc2c(I)cccc2n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 3/20 0.48
TYMS P04818 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
NCF1 P14598 1/20 0.41
CYP2C9 P11712 1/20 0.39
KDM1A O60341 1/20 0.38
CCR1 P32246 1/20 0.38
CCR8 P51685 1/20 0.38
GPR3 P46089 1/20 0.38
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37

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
SCHEMBL20470692 0.78 TYMS (0.37) ALDH1A1CYP1A2TYMSPOLBKMT2A
SCHEMBL826491 0.78 CYP1A2 (0.57) ALDH1A1CYP1A2POLBKMT2ANCF1
SCHEMBL11249229 0.78 ALDH1A1 (0.55) ALDH1A1CYP1A2MEN1POLBKMT2A
SCHEMBL30081460 0.75 ALDH1A1 (0.51) ALDH1A1CYP1A2MEN1POLBKMT2A
SCHEMBL2757268 0.75 ALDH1A1 (0.51) ALDH1A1CYP1A2TYMSPOLBNCF1
SCHEMBL1134896 0.75 METAP2 (0.52) ALDH1A1CYP1A2MEN1POLBKMT2A
SCHEMBL29391332 0.75 METAP2 (0.52) ALDH1A1CYP1A2MEN1POLBKMT2A
SCHEMBL29923580 0.75 BACE1 (0.60) ALDH1A1CYP1A2MEN1POLBKMT2A
SCHEMBL18535204 0.75 CYP1A2 (0.64) ALDH1A1CYP1A2MEN1KMT2ANCF1
SCHEMBL2223768 0.75 BACE1 (0.60) ALDH1A1CYP1A2MEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019118571-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2019-06-20 WO disclosed
WO-2018067704-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-04-12 WO disclosed
US-20170133599-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-11 US disclosed
US-7989628-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2011-08-02 US disclosed
US-20090227628-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 US disclosed
WO-2008068157-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 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 (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-20090227628-A1 2-AMINOQUINOLINES HTR5A, HTR1A, HTR1E ALDH1A1 1532/4885CYP1A2 517/4885TYMS 4687/4885

“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.