SCHEMBL6275902

SCHEMBL6275902

Cc1ccccc1NOCc1ccccc1C1C=Cc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
SIGMAR1 Q99720 6/20 0.34
L3MBTL1 Q9Y468 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL6273009 0.81 SIGMAR1 (0.36) SIGMAR1
SCHEMBL28501995 0.76 HTR2A (0.36) SIGMAR1TP53HSD17B10
Hydrochloric Acid SCHEMBL3212771 0.75 HTR6 (0.33) SIGMAR1
SCHEMBL28496033 0.74 SIGMAR1 (0.33) SIGMAR1TP53HSD17B10
SCHEMBL3212779 0.72 SIGMAR1 (0.33) SIGMAR1
SCHEMBL2830663 0.72 HTR2C (0.37) SIGMAR1TP53HSD17B10
SCHEMBL27740455 0.71 SIGMAR1 (0.38) HTTKMT2AMEN1SIGMAR1TP53
SCHEMBL3212530 0.68 GAA (0.43) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL3204622 0.68 SIGMAR1 (0.36) ALDH1A1HTTKMT2AMEN1SIGMAR1
SCHEMBL6055955 0.68 HTR2C (0.40) SIGMAR1TP53HSD17B10

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
EP-1206427-B1 CHIRAL LIGANDS, TRANSITION-METAL COMPLEXES THEREOF AND USES THEREOF IN ASYMMETRIC REACTIONS PENN STATE RES FOUND (US) 2005-11-09 EP disclosed
US-6828271-B2 To form transition metal complexes which are used in such as asymmetric hydrogenation of imines, asymmetric hydride transfer reactions, hydrosilylation, hydroboration, hydrovinylation hydroformylation, allylic alkylation, etc. THE PENN STATE RESEARCH FOUNDATION 2004-12-07 US disclosed
US-20030163003-A1 Chiral ligands, transition-metal complexes thereof and uses thereof in asymmetric reactions THE PENN STATE RESEARCH FOUNDATION 2003-08-28 US disclosed
US-6525210-B1 Binaphthyl phospholanes, chelating phosphines and ferrocene complexes thereof THE PENN STATE RESEARCH FOUNDATION 2003-02-25 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-20030163003-A1 Chiral ligands, transition-metal complexes thereof and uses thereof in asymmetric reactions PFKFB3, PFKFB4, PFKFB2 MAPT 4743/4885ALDH1A1 1474/4885HTT 2588/4885

“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.