SCHEMBL10144273

SCHEMBL10144273

C#C/C(C#N)=C/c1ccc([N+](=O)[O-])c(O)c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.84
ALDH1A1 P00352 5/20 0.84
HPGD P15428 4/20 0.84
KDM4E B2RXH2 3/20 0.84
LMNA P02545 3/20 0.84
CYP3A4 P08684 3/20 0.84
CYP2C9 P11712 3/20 0.84
BLM P54132 3/20 0.84
HSD17B10 Q99714 3/20 0.84
RECQL P46063 2/20 0.84
CYP1A2 P05177 2/20 0.84
TDP1 Q9NUW8 2/20 0.84
POLB P06746 1/20 0.84
EGFR P00533 8/20 0.66
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
MAPK1 P28482 2/20 0.50
TP53 P04637 2/20 0.50
ALOX15 P16050 2/20 0.50
TSHR P16473 2/20 0.50

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
SCHEMBL1802883 0.91 ALDH1A1 (1.00) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL29407863 0.91 ALDH1A1 (1.00) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL10144274 0.83 ALDH1A1 (0.84) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL10144262 0.79 EGFR (0.79) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL5170549 0.74 MAPT (0.65) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL10144550 0.74 ALDH1A1 (1.00) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL31618898 0.74 ALDH1A1 (1.00) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL10144263 0.72 EGFR (0.78) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL29687930 0.72 ALDH5A1 (0.73) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL531632 0.72 ALDH5A1 (0.73) MAPTALDH1A1HPGDKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 US disclosed
US-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX CORNING INCORPORATED 2012-01-26 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 (3 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-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX GPR35, GPR65, GPR68 MAPT 3699/4885ALDH1A1 1572/4885HPGD 1017/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS MAPT 3572/4885ALDH1A1 1238/4885HPGD 2020/4885
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 MAPT 3770/4885ALDH1A1 2221/4885HPGD 4312/4885

“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.