SCHEMBL3081887

SCHEMBL3081887

O=C(Cc1ccccc1)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.70
ALDH1A1 P00352 3/20 0.70
MAP2K1 Q02750 1/20 0.65
KDM4E B2RXH2 2/20 0.61
CA12 O43570 3/20 0.60
CA9 Q16790 3/20 0.60
AR P10275 2/20 0.57
TDP1 Q9NUW8 2/20 0.54
KMT2A Q03164 1/20 0.53
HSD17B3 P37058 1/20 0.51
AGER Q15109 1/20 0.51
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL7931393 0.83 MAP2K1 (0.71) ALDH1A1MAP2K1KDM4ECA12CA9
SCHEMBL4063682 0.83 ALDH1A1 (0.53) RAB9AALDH1A1MAP2K1KDM4ECA12
SCHEMBL4696347 0.82 RAB9A (1.00) RAB9AALDH1A1KDM4ECA12CA9
SCHEMBL3469941 0.82 MAP2K1 (0.62) RAB9AALDH1A1MAP2K1KDM4ECA12
SCHEMBL11446677 0.81 AR (0.69) ALDH1A1MAP2K1KDM4ECA12CA9
SCHEMBL6316379 0.81 MAP2K1 (0.67) ALDH1A1MAP2K1KDM4ECA12CA9
SCHEMBL17460094 0.80 ALDH1A1 (0.55) RAB9AALDH1A1MAP2K1KDM4ECA12
SCHEMBL3043823 0.79 MAP2K1 (1.00) ALDH1A1MAP2K1KDM4ECA12CA9
SCHEMBL13298959 0.78 MAP2K1 (0.66) RAB9AALDH1A1MAP2K1KDM4ECA12
SCHEMBL10770839 0.78 RAB9A (0.67) RAB9AALDH1A1KDM4ECA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104428036-A Polypeptides and their use NOVABIOTICS LTD 2015-03-18 CN disclosed
EP-2825261-A1 POLYPEPTIDES AND THEIR USE Novabiotics Limited (GB) 2015-01-21 EP disclosed
US-20140155321-A1 Polypeptides and Their Use NOVABIOTICS LIMITED (GB) 2014-06-05 US disclosed
WO-2013136040-A1 POLYPEPTIDES AND THEIR USE NOVABIOTICS LIMITED (GB) 2013-09-19 WO disclosed
US-20100267653-A1 USE OF COUMARIN DERIVATIVES IN ANTIFUNGAL THERAPY NOVABIOTICS LIMITED (GB) 2010-10-21 US disclosed
EP-1799771-A2 LIGHT ACTIVATED SHAPE MEMORY CO-POLYMERS CORNERSTONE RESEARCH GROUP, INC. (US) 2007-06-27 EP disclosed
WO-2007001407-A2 LIGHT ACTIVATED SHAPE MEMORY CO-POLYMERS CORNERSTONE RESEARCH GROUP, INC. (US) 2007-01-04 WO 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-20100267653-A1 USE OF COUMARIN DERIVATIVES IN ANTIFUNGAL THERAPY DPM1, XPO5, NISCH RAB9A 4757/4885ALDH1A1 1883/4885MAP2K1 3417/4885

“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.