SCHEMBL2921090

SCHEMBL2921090

CCOC(=O)Nc1cc([N+](=O)[O-])cc2[nH]ncc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 5/20 0.43
IDO1 P14902 4/20 0.43
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 1/20 0.43
AKR1B1 P15121 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
NOS1 P29475 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL2921477 0.81 CYP1A2 (0.43) ALDH1A1KMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL2916342 0.78 ALDH1A1 (0.44) ALDH1A1KMT2AAKR1B1SMN1; SMN2CYP1A2
SCHEMBL2917193 0.77 KMT2A (0.44) ALDH1A1KMT2AAKR1B1SMN1; SMN2CYP1A2
SCHEMBL2594220 0.73 NOS1 (0.44) TDO2IDO1ALDH1A1KMT2AMAPT
SCHEMBL2144703 0.72 NOS1 (0.53) TDO2IDO1ALDH1A1MAPTLMNA
SCHEMBL11086324 0.72 KMT2A (0.76) ALDH1A1KMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL10489810 0.72 AKR1B1 (0.52) ALDH1A1KMT2AAKR1B1SMN1; SMN2CYP1A2
SCHEMBL10657842 0.72 SMN1; SMN2 (0.52) ALDH1A1KMT2AAKR1B1SMN1; SMN2CYP1A2
SCHEMBL4623724 0.71 ALDH1A1 (0.57) ALDH1A1KMT2AAKR1B1SMN1; SMN2CYP1A2
SCHEMBL10489727 0.71 AKR1B1 (0.51) ALDH1A1KMT2AAKR1B1SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE CARNA BIOSCIENCES INC. (JP) 2010-12-09 US disclosed
US-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE CARNA BIOSCIENCES INC. (JP) 2010-12-09 US disclosed
EP-2226315-A1 2-AMINOQUINAZOLINE DERIVATIVE Carna Biosciences Inc. (JP) 2010-09-08 EP disclosed
EP-2226315-A1 2-AMINOQUINAZOLINE DERIVATIVE Carna Biosciences Inc. (JP) 2010-09-08 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 (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-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE DSTYK, ABL1, EEF2K TDO2 2884/4885IDO1 2664/4885ALDH1A1 4359/4885

“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.