SCHEMBL9932874

SCHEMBL9932874

O=C(NCc1ccccc1OC(F)(F)F)[C@@H]1CCCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2J2 P51589 3/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
CHRM4 P08173 2/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 2/20 0.41
DGAT2 Q96PD7 1/20 0.40

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
SCHEMBL9934664 0.91 MAPT (0.51) KMT2AMEN1MAPTALDH1A1TSHR
SCHEMBL9933790 0.91 MAPT (0.51) KMT2AMEN1MAPTALDH1A1TSHR
SCHEMBL9935464 0.91 MAPT (0.51) KMT2AMEN1MAPTALDH1A1TSHR
SCHEMBL9933466 0.89 TSHR (0.54) KMT2AMEN1MAPTALDH1A1TSHR
SCHEMBL9934231 0.88 KMT2A (0.55) KMT2AMEN1MAPTALDH1A1TSHR
SCHEMBL9933624 0.87 KMT2A (0.44) KMT2AMAPTALDH1A1TSHRKDM4E
SCHEMBL9933957 0.86 ALDH1A1 (0.52) KMT2AMEN1MAPTALDH1A1DGAT2
SCHEMBL9934138 0.85 LMNA (0.44) KMT2AMEN1MAPTALDH1A1TSHR
SCHEMBL9934450 0.84 MAPT (0.44) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL9973897 0.81 TSHR (0.59) KMT2AMEN1ALDH1A1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157494-A1 ISOINDOLYL COMPOUNDS HARRIS III RALPH NEW (US) 2012-06-21 US claimed
US-20120157494-A1 ISOINDOLYL COMPOUNDS HARRIS III RALPH NEW (US) 2012-06-21 US disclosed
US-20120157494-A1 ISOINDOLYL COMPOUNDS HARRIS III RALPH NEW (US) 2012-06-21 US disclosed
US-20120157494-A1 ISOINDOLYL COMPOUNDS HARRIS III RALPH NEW (US) 2012-06-21 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-20120157494-A1 ISOINDOLYL COMPOUNDS P2RX7, P2RX3, P2RX1 EPHX2 1794/4885CYP2C9 364/4885CYP2J2 367/4885

“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.