SCHEMBL8406641

SCHEMBL8406641

O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccccc1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 5/20 0.67
LMNA P02545 4/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
TP53 P04637 3/20 0.62
HTT P42858 3/20 0.62
KDM4E B2RXH2 3/20 0.62
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
HSD17B10 Q99714 2/20 0.61
HPGD P15428 1/20 0.61
EPHX2 P34913 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
POLB P06746 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MAPT P10636 1/20 0.58
TRPV1 Q8NER1 2/20 0.57

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
SCHEMBL2701312 0.89 PNLIP (0.63) PNLIPLMNAMEN1KMT2ATP53
SCHEMBL12368148 0.86 NPC1 (0.71) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL8406630 0.85 P2RX1 (0.75) PNLIPLMNAMEN1KMT2ATP53
SCHEMBL15361447 0.84 PTGS1 (0.68) TP53HTTKDM4ESMN1; SMN2HSD17B10
SCHEMBL27940176 0.84 EPHX2 (0.58) TP53HTTNPC1RAB9ASMN1; SMN2
SCHEMBL1496356 0.84 TRPV1 (0.59) TP53HTTNPC1RAB9ASMN1; SMN2
SCHEMBL12225782 0.84 NPC1 (0.69) LMNAMEN1KMT2AHTTNPC1
SCHEMBL29168845 0.84 TDP1 (0.62) MEN1KMT2ATP53HTTNPC1
SCHEMBL1499598 0.84 SMN1; SMN2 (0.68) MEN1KMT2AHTTKDM4ENPC1
SCHEMBL18327174 0.82 LMNA (0.89) PNLIPLMNAMEN1KMT2ATP53

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-20150210717-A1 SPECIFIC INHIBITORS OF PROTEIN P21 AS THERAPEUTIC AGENTS LEIBNIZ-INSTITUT FÜR ALTERSFORSCHUNG (DE) 2015-07-30 US disclosed
CN-104334529-A Compounds and compositions for inhibiting the activity of ABL1, ABL2, and BCR-ABL1 NOVARTIS AG 2015-02-04 CN disclosed
WO-2014041125-A1 SPECIFIC INHIBITORS OF PROTEIN P21 AS THERAPEUTIC AGENTS BADEN-WÜRTTEMBERG STIFTUNG GMBH (DE) 2014-03-20 WO disclosed
US-5905090-A IMMUNOSUPPRESSANTS AND/OR ANTIINFLAMMATORIES ITALFARMACO S.P.A. (IT) 1999-05-18 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-20150210717-A1 SPECIFIC INHIBITORS OF PROTEIN P21 AS THERAPEUTIC AGENTS CDKN1A, ING2, BCCIP PNLIP 1298/4885LMNA 2489/4885MEN1 2917/4885

“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.