SCHEMBL19700166

SCHEMBL19700166

Cc1c(N2CCCC2)ccc([N+](=O)[O-])c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.55
AR P10275 1/20 0.55
ALDH1A1 P00352 10/20 0.53
MAPT P10636 6/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
POLB P06746 4/20 0.52
CYP2C9 P11712 1/20 0.52
LMNA P02545 3/20 0.51
MAPK1 P28482 3/20 0.51
GAA P10253 3/20 0.51
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
TNNI3 P19429 1/20 0.50
TNNT2 P45379 1/20 0.50
TNNC1 P63316 1/20 0.50
KMT2A Q03164 1/20 0.50
HPGD P15428 1/20 0.50
PKM P14618 2/20 0.49

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
SCHEMBL21001133 0.87 CTSB (0.58) CTSBALDH1A1MAPTL3MBTL1CYP2C19
SCHEMBL939398 0.81 ALDH1A1 (0.68) CTSBARALDH1A1MAPTL3MBTL1
SCHEMBL21031716 0.80 ALDH1A1 (0.67) CTSBARALDH1A1MAPTL3MBTL1
SCHEMBL25796770 0.77 ALDH1A1 (0.67) CTSBARALDH1A1MAPTL3MBTL1
SCHEMBL2932351 0.76 POLB (0.51) CTSBARALDH1A1MAPTL3MBTL1
SCHEMBL533139 0.74 ALDH1A1 (0.55) ALDH1A1MAPTL3MBTL1POLBLMNA
SCHEMBL7809573 0.74 ALDH1A1 (0.67) CTSBARALDH1A1MAPTL3MBTL1
SCHEMBL7800552 0.74 ALDH1A1 (0.69) CTSBARALDH1A1MAPTL3MBTL1
SCHEMBL8794400 0.74 ALDH1A1 (0.69) CTSBARALDH1A1MAPTL3MBTL1
SCHEMBL3537112 0.73 GAA (0.69) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858900-B2 Fluorinated 2-amino-4-(substituted amino)phenyl carbamate derivatives OCUTERRA THERAPEUTICS, INC. (US) 2024-01-02 US disclosed
US-20170355679-A1 FLUORINATED 2-AMINO-4-(SUBSTITUTED AMINO)PHENYL CARBAMATE DERIVATIVES SCIFLUOR LIFE SCIENCES, INC. 2017-12-14 US 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-20170355679-A1 FLUORINATED 2-AMINO-4-(SUBSTITUTED AMINO)PHENYL CARBAMATE DERIVATIVES KCNQ2, KCNQ1, KCNQ3 CTSB 2850/4885AR 3669/4885ALDH1A1 4495/4885
US-11858900-B2 Fluorinated 2-amino-4-(substituted amino)phenyl carbamate derivatives KCNQ2, KCNQ1, KCNQ3 CTSB 2850/4885AR 3669/4885ALDH1A1 4495/4885

“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.