SCHEMBL11298765

SCHEMBL11298765

Nc1ccc(SC(F)(F)Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
TDP1 Q9NUW8 2/20 0.70
KDM4E B2RXH2 1/20 0.70
CYP3A4 P08684 3/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 2/20 0.48
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
KIF11 P52732 3/20 0.39
PDE7A Q13946 2/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 1/20 0.35
PTPN1 P18031 1/20 0.34
PTPRZ1 P23471 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL25118394 0.84 ALDH1A1 (0.61) ALDH1A1TDP1KDM4ECYP3A4TSHR
SCHEMBL656930 0.82 ALDH1A1 (1.00) ALDH1A1TDP1KDM4ECYP3A4TSHR
SCHEMBL3628830 0.82 ALDH1A1 (0.58) ALDH1A1TDP1KDM4ECYP3A4TSHR
SCHEMBL8639823 0.78 ALDH1A1 (0.67) ALDH1A1TDP1KDM4ECYP3A4TSHR
SCHEMBL12012131 0.78 ALDH1A1 (0.67) ALDH1A1TDP1KDM4ECYP3A4TSHR
SCHEMBL3896343 0.76 TDP1 (0.86) ALDH1A1TDP1KDM4ECYP3A4TSHR
SCHEMBL10361199 0.76 ALDH1A1 (0.57) ALDH1A1TDP1KDM4ECYP3A4TSHR
SCHEMBL698212 0.75 ALDH1A1 (0.61) ALDH1A1TDP1KDM4ECYP3A4TSHR
SCHEMBL10361212 0.75 ALDH1A1 (0.61) ALDH1A1TDP1KDM4ECYP3A4TSHR
SCHEMBL9338259 0.74 SMN1; SMN2 (0.43) ALDH1A1TDP1KDM4ETSHRMAPK1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2861579-B9 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2018-08-29 EP disclosed
EP-2858988-B1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2018-02-28 EP disclosed
EP-2858988-B1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2018-02-28 EP disclosed
EP-2861579-B1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2018-02-21 EP disclosed
EP-2861579-B1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2018-02-21 EP disclosed
US-9278981-B2 Compounds and compositions for inhibiting the activity of ABL1, ABL2 and BCR-ABL1 NOVARTIS AG (CH) 2016-03-08 US disclosed
US-9278981-B2 Compounds and compositions for inhibiting the activity of ABL1, ABL2 and BCR-ABL1 NOVARTIS AG (CH) 2016-03-08 US disclosed
US-9278981-B2 Compounds and compositions for inhibiting the activity of ABL1, ABL2 and BCR-ABL1 NOVARTIS AG (CH) 2016-03-08 US disclosed
US-20150183801-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2015-07-02 US disclosed
US-20150183801-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2015-07-02 US disclosed
US-8829195-B2 Compounds and compositions for inhibiting the activity of ABL1, ABL2 and BCR-ABL1 NOVARTIS AG (CH) 2014-09-09 US disclosed
US-8829195-B2 Compounds and compositions for inhibiting the activity of ABL1, ABL2 and BCR-ABL1 NOVARTIS AG (CH) 2014-09-09 US disclosed
US-8829195-B2 Compounds and compositions for inhibiting the activity of ABL1, ABL2 and BCR-ABL1 NOVARTIS AG (CH) 2014-09-09 US disclosed
US-20130310395-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2013-11-21 US disclosed
WO-2013171639-A1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2013-11-21 WO disclosed
WO-2013171640-A1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2013-11-21 WO disclosed
US-20130310395-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2013-11-21 US disclosed
EP-0008435-B1 SUBSTITUTED N-PHENYL-N'-BENZOYL-THIOUREAS, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1982-05-12 EP disclosed
US-4276310-A ARTHROPODICIDES, FUNGICIDES, BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-06-30 US disclosed
EP-0008435-A2 Substituted N-phenyl-N'-benzoyl-thioureas, their preparation and their use as pesticides BAYER AG (DE) 1980-03-05 EP 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 (2 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-20130310395-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 ABL1, ABL2, BCR ALDH1A1 1602/4885TDP1 1679/4885KDM4E 587/4885
US-20150183801-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 ABL1, ABL2, BCR ALDH1A1 1494/4885TDP1 2467/4885KDM4E 529/4885

“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.