SCHEMBL17458953

SCHEMBL17458953

CC(C)c1c([N+](=O)[O-])cnn1Cc1ccc(C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.40
DCTPP1 Q9H773 1/20 0.40
MAPT P10636 1/20 0.39
CACNA1H O95180 1/20 0.39
VCAM1 P19320 2/20 0.39
CYP11B2 P19099 6/20 0.39
CYP11B1 P15538 5/20 0.39
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
MERTK Q12866 2/20 0.35

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
SCHEMBL19170343 0.90 CYP19A1 (0.42) CYP19A1CACNA1HCYP11B2CYP11B1KDM4E
SCHEMBL17472241 0.88 CACNA1H (0.41) CYP19A1CACNA1HCYP11B2CYP11B1KDM4E
SCHEMBL17458969 0.84 DCTPP1 (0.44) CYP19A1DCTPP1MAPTVCAM1CYP11B2
SCHEMBL17458884 0.81 CYP19A1 (0.41) CYP19A1DCTPP1MAPTCACNA1HVCAM1
SCHEMBL28842825 0.81 CYP19A1 (0.43) CYP19A1DCTPP1VCAM1CYP11B2CYP11B1
SCHEMBL17458964 0.78 CYP19A1 (0.45) CYP19A1CACNA1HCYP11B2CYP11B1KDM4E
SCHEMBL28842491 0.78 SMN1; SMN2 (0.41) CYP19A1DCTPP1MAPTVCAM1CYP11B2
SCHEMBL17459012 0.78 CYP11B1 (0.51) CYP19A1MAPTCYP11B2CYP11B1KDM4E
SCHEMBL16832906 0.77 MAPT (0.50) CYP19A1DCTPP1MAPTCYP11B2CYP11B1
SCHEMBL19170438 0.76 CYP11B2 (0.46) CYP19A1DCTPP1CYP11B2CYP11B1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226081-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-10 US disclosed
US-20170226081-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-10 US disclosed
US-20170210738-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-27 US disclosed
US-20170210738-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-27 US disclosed
US-20170210738-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-27 US disclosed
EP-3172194-A1 GLUCOSE TRANSPORT INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2017-05-31 EP disclosed
EP-3172192-A1 GLUCOSE TRANSPORT INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2017-05-31 EP disclosed
WO-2016012481-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-01-28 WO disclosed
WO-2016012474-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-01-28 WO disclosed
WO-2016012481-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-01-28 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 (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-20170226081-A1 GLUCOSE TRANSPORT INHIBITORS SLC2A1, SLC2A2, SLC2A4 CYP19A1 1271/4885DCTPP1 806/4885MAPT 526/4885
US-20170210738-A1 GLUCOSE TRANSPORT INHIBITORS SLC2A1, SLC2A2, SLC2A4 CYP19A1 658/4885DCTPP1 747/4885MAPT 775/4885

“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.