SCHEMBL1883751

SCHEMBL1883751

COc1cc(I)cc(C(=O)O)c1OCCO

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
CNR2 P34972 1/20 0.43
TUBB1 Q9H4B7 1/20 0.42
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
BPTF Q12830 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
DHPS P49366 2/20 0.39
BRD4 O60885 1/20 0.39
PKM P14618 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
NEK2 P51955 2/20 0.38
APP P05067 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
SCHEMBL9134895 0.90 TMEM97 (0.49) KDM4ECNR2TMEM97SIGMAR1BPTF
SCHEMBL5204968 0.84 TUBB1 (0.46) TUBB1BPTFDHPSBRD4
SCHEMBL7828568 0.82 PKM (0.49) KDM4EALDH1A1HPGDPKMLCK
SCHEMBL18031322 0.76 TPMT (0.57) CNR2TUBB1BPTFALDH1A1PKM
SCHEMBL10370336 0.74 TPMT (0.51) KDM4EALDH1A1HPGDPKMLCK
SCHEMBL1889122 0.72 KDM4E (0.40) KDM4ETMEM97SIGMAR1ALDH1A1HPGD
SCHEMBL8961617 0.72 BPTF (0.61) KDM4EBPTFALDH1A1
SCHEMBL7122419 0.72 TUBB1 (0.49) KDM4ETUBB1BPTFALDH1A1HPGD
SCHEMBL15845864 0.71 ALDH1A1 (0.50) KDM4EALDH1A1HPGDPKMLCK
SCHEMBL23060136 0.71 MAOB (0.39) KDM4ECNR2BPTFALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193360-B2 Radiolabelled fluorobenzamide analogues, their synthesis and use in diagnostic imaging WASHINGTON UNIVERSITY (US) 2012-06-05 US disclosed
US-8193360-B2 Radiolabelled fluorobenzamide analogues, their synthesis and use in diagnostic imaging WASHINGTON UNIVERSITY (US) 2012-06-05 US disclosed
US-20110230662-A1 RADIOLABELLED FLUOROBENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING WASHINGTON UNIVERSITY (US) 2011-09-22 US disclosed
US-20110230662-A1 RADIOLABELLED FLUOROBENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING WASHINGTON UNIVERSITY (US) 2011-09-22 US disclosed
US-7947838-B2 Radiolabelled benzamide analogues, their synthesis and use in diagnostic imaging WASHINGTON UNIVERSITY (US) 2011-05-24 US disclosed
US-7947838-B2 Radiolabelled benzamide analogues, their synthesis and use in diagnostic imaging WASHINGTON UNIVERSITY (US) 2011-05-24 US disclosed
US-20100150836-A1 RADIOLABELLED BENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING WASHINGTON UNIVERSITY (US) 2010-06-17 US disclosed
US-20100150836-A1 RADIOLABELLED BENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING WASHINGTON UNIVERSITY (US) 2010-06-17 US disclosed
EP-2164327-A2 RADIOLABELLED FLUOROBENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING WASHINGTON UNIVERSITY (US) 2010-03-24 EP disclosed
US-7659400-B2 Radiolabelled benzamide analogues, their synthesis and use in diagnostic imaging WASHINGTON UNIVERSITY (US) 2010-02-09 US disclosed
WO-2009025914-A2 RADIOLABELLED FLUOROBENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING WASHINGTON UNIVERSITY (US) 2009-02-26 WO disclosed
US-20080107599-A1 RADIOLABELLED BENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING WASHINGTON UNIVERSITY OF ST. LOUIS 2008-05-08 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 (3 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-20080107599-A1 RADIOLABELLED BENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING TMEM97, SIGMAR1, SFN KDM4E 4331/4885CNR2 46/4885TUBB1 510/4885
US-20100150836-A1 RADIOLABELLED BENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING TMEM97, SIGMAR1, SFN KDM4E 4331/4885CNR2 46/4885TUBB1 510/4885
US-20110230662-A1 RADIOLABELLED FLUOROBENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING TMEM97, SIGMAR1, SFN KDM4E 4470/4885CNR2 52/4885TUBB1 353/4885

“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.