SCHEMBL4036289

SCHEMBL4036289

O=C(NCc1cccnc1)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 11/20 0.47
TSHR P16473 1/20 0.47
RORC P51449 2/20 0.46
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPA1 O75762 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL4039810 0.92 MEN1 (0.51) NAMPTTSHRRORCMEN1KMT2A
SCHEMBL4039310 0.91 TRPA1 (0.45) NAMPTRORCTRPA1
SCHEMBL3827372 0.91 RORC (0.46) RORCKMT2ATRPA1
SCHEMBL3827382 0.88 TRPA1 (0.43) RORCKMT2ATRPA1KDM4E
SCHEMBL4041379 0.88 TRPA1 (0.42) RORCKMT2ATRPA1KDM4E
SCHEMBL3841683 0.88 BACE1 (0.47) RORCKMT2ATRPA1KDM4E
SCHEMBL4033046 0.87 TRPA1 (0.43) NAMPTRORCTRPA1
SCHEMBL4842113 0.87 RORC (0.44) RORCKMT2ATRPA1KDM4E
SCHEMBL4841534 0.87 LIPG (0.45) RORCMEN1KMT2ATRPA1KDM4E
Potassium Ion SCHEMBL4841481 0.87 BACE1 (0.47) RORCTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885695-B1 INDOLINE COMPOUNDS FOURNIER LAB SA (FR) 2009-02-25 EP disclosed
US-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 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 (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-20080119465-A1 Novel Indoline Compounds GPR119, INSR, IRS1 NAMPT 2314/4885TSHR 681/4885RORC 1777/4885

“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.