SCHEMBL7561946

SCHEMBL7561946

Cn1cnc([N+](=O)[O-])c1/C=C/c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
MAPT P10636 7/20 0.52
HTT P42858 6/20 0.52
LMNA P02545 5/20 0.52
HPGD P15428 1/20 0.52
CASP6 P55212 1/20 0.48
KDM4E B2RXH2 1/20 0.47
GAA P10253 2/20 0.45
IP6K1 Q92551 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
RECQL P46063 1/20 0.43
NFE2L2 Q16236 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2C19 P33261 2/20 0.42
GFER P55789 2/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL7561953 1.00 ALDH1A1 (0.52) ALDH1A1MAPTHTTLMNAHPGD
SCHEMBL11452173 0.78 HPGD (0.44) ALDH1A1MAPTHTTHPGDKDM4E
SCHEMBL11452176 0.78 HPGD (0.44) ALDH1A1MAPTHTTHPGDKDM4E
SCHEMBL10102702 0.77 LMNA (0.42) ALDH1A1MAPTHTTLMNAHPGD
SCHEMBL6207532 0.76 IP6K1 (0.46) ALDH1A1MAPTHPGDKDM4EIP6K1
SCHEMBL6207536 0.76 IP6K1 (0.46) ALDH1A1MAPTHPGDKDM4EIP6K1
SCHEMBL4575394 0.76 KDM4E (0.58) ALDH1A1MAPTHTTLMNAHPGD
SCHEMBL10108326 0.73 IP6K1 (0.46) ALDH1A1MAPTLMNAHPGDKDM4E
SCHEMBL9669632 0.69 MAPT (1.00) ALDH1A1MAPTHTTLMNAHPGD
SCHEMBL10529443 0.69 MAPT (0.74) ALDH1A1MAPTHTTLMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-01-07 US disclosed
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-01-07 US disclosed
US-9073916-B2 Prodrug forms of kinase inhibitors and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-07 US disclosed
US-9073916-B2 Prodrug forms of kinase inhibitors and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-07 US disclosed
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 US disclosed
EP-1173414-A1 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2002-01-23 EP disclosed
WO-2000064864-A9 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RES CAMPAIGN TECH (GB) 2001-12-27 WO disclosed
WO-2000064864-A1 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-11-02 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-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K ALDH1A1 3257/4885MAPT 3315/4885HTT 3450/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K ALDH1A1 3205/4885MAPT 3259/4885HTT 3186/4885

“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.