SCHEMBL2629600

SCHEMBL2629600

CC(C)c1ccc2c(c1)COCO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NR3C1 P04150 1/20 0.35
OGA O60502 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
CCR6 P51684 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL70621 0.86 MEN1 (0.37) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL8256199 0.84 PTGS1 (0.41) KMT2AOGAMAPTSMN1; SMN2KDM4E
SCHEMBL2629599 0.83 HDAC3 (0.43) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL31023728 0.82 HDAC3 (0.36) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL9738388 0.78 LMNA (0.35) MEN1KMT2AALDH1A1NPSR1LMNA
SCHEMBL31023645 0.76 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL7938899 0.76 MMP12 (0.40) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL5520992 0.75 LMNA (0.39) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL70200 0.75 MEN1 (0.55) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL18648047 0.75 TAAR1 (0.47) CYP3A4CYP2D6MAPTTAAR1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10626111-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-04-21 US disclosed
EP-2194046-B1 Triazolone derivative EISAI R&D MAN CO LTD (JP) 2012-05-09 EP disclosed
US-8163787-B2 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-24 US disclosed
US-20110112109-A1 TRIAZOLONE DERIVATIVES CLARK RICHARD 2011-05-12 US disclosed
US-7928228-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2011-04-19 US disclosed
US-7928228-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2011-04-19 US disclosed
US-7816522-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2010-10-19 US disclosed
US-7807690-B2 2,3-dihydro-iminoisoindole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-05 US disclosed
US-7807690-B2 2,3-dihydro-iminoisoindole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-05 US disclosed
US-20100190783-A1 TRIAZOLONE DERIVATIVES CLARK RICHARD 2010-07-29 US disclosed
US-20100184981-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES CLARK RICHARD 2010-07-22 US disclosed
US-20090270433-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270433-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20080015199-A1 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-17 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 (6 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-20100184981-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES SERPINC1, F7, F2 MEN1 675/4885KMT2A 2935/4885CYP1A2 609/4885
US-20100190783-A1 TRIAZOLONE DERIVATIVES H1-0, H1-10, H1-2 MEN1 159/4885KMT2A 948/4885CYP1A2 53/4885
US-20110112109-A1 TRIAZOLONE DERIVATIVES H1-10, H1-0, H1-2 MEN1 243/4885KMT2A 1010/4885CYP1A2 76/4885
US-20090270433-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES SERPINC1, F7, F2 MEN1 603/4885KMT2A 3032/4885CYP1A2 648/4885
US-10626111-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 MEN1 4709/4885KMT2A 3498/4885CYP1A2 1902/4885
US-20080015199-A1 Triazolone derivatives F3, F12, F2 MEN1 335/4885KMT2A 1639/4885CYP1A2 45/4885

“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.