SCHEMBL2086575

SCHEMBL2086575

CCC(C(=O)O)n1cc(C=C(C#N)C(=O)Cl)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
LMNA P02545 2/20 0.38
APP P05067 1/20 0.36
SNCA P37840 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.36
ATM Q13315 1/20 0.36
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34

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
SCHEMBL2086574 1.00 KMT2A (0.43) KMT2ASMN1; SMN2MEN1MAPTALDH1A1
SCHEMBL2086573 1.00 KMT2A (0.43) KMT2ASMN1; SMN2MEN1MAPTALDH1A1
SCHEMBL2087636 0.84 PTGDR2 (0.48) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL2087639 0.84 PTGDR2 (0.48) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL2088024 0.83 ALDH1A1 (0.49) KMT2ASMN1; SMN2MEN1MAPTALDH1A1
SCHEMBL2088022 0.83 ALDH1A1 (0.49) KMT2ASMN1; SMN2MEN1MAPTALDH1A1
SCHEMBL2087961 0.79 PTGDR2 (0.47) KMT2ASMN1; SMN2MEN1MAPTALDH1A1
SCHEMBL2087962 0.79 PTGDR2 (0.47) KMT2ASMN1; SMN2MEN1MAPTALDH1A1
SCHEMBL2088336 0.79 PTGDR2 (0.48) MAPTALDH1A1KDM4ELMNAAPP
SCHEMBL2090192 0.79 PTGDR2 (0.38) SMN1; SMN2MAPTALDH1A1KDM4ELMNA

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-7897788-B2 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-03-01 US disclosed
US-20070208004-A1 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-09-06 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 (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-20070208004-A1 Indol-1-yl-acetic acid derivatives IDO1, IDO2, AANAT KMT2A 1575/4885SMN1; SMN2 3745/4885MEN1 2045/4885

“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.