SCHEMBL18891024

SCHEMBL18891024

CCCCC[C@H](C)SCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
PKM P14618 1/20 0.53
MAPT P10636 10/20 0.51
POLB P06746 1/20 0.51
GAA P10253 2/20 0.50
LMNA P02545 4/20 0.47
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 2/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
STAT3 P40763 1/20 0.45

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
SCHEMBL18891153 1.00 KMT2A (0.53) KMT2AMEN1PKMMAPTPOLB
SCHEMBL18891154 0.88 MAPT (0.50) KMT2AMEN1PKMMAPTPOLB
SCHEMBL18891034 0.88 MAPT (0.50) KMT2AMEN1PKMMAPTPOLB
SCHEMBL18883891 0.86 HCAR3 (0.44) KMT2AMEN1PKMMAPTPOLB
SCHEMBL18883867 0.86 HCAR3 (0.44) KMT2AMEN1PKMMAPTPOLB
SCHEMBL18883866 0.84 ALDH1A1 (0.48) PKMMAPTPOLBGAALMNA
SCHEMBL18883850 0.84 KAT2B (0.51) KMT2APKMMAPTPOLBLMNA
SCHEMBL18883881 0.84 ALDH1A1 (0.48) PKMMAPTPOLBGAALMNA
SCHEMBL18883872 0.84 KAT2B (0.51) KMT2APKMMAPTPOLBLMNA
SCHEMBL18891033 0.82 PDE3B (0.36) KMT2AMEN1PKMMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170145156-A1 Catalysis and Catalysts for Polymerization INTERNATIONAL BUSINESS MACHINES CORPORATION 2017-05-25 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-20170145156-A1 Catalysis and Catalysts for Polymerization TST, CBR3, MSRB3 KMT2A 1906/4885MEN1 2802/4885PKM 2581/4885

“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.