SCHEMBL3050802

SCHEMBL3050802

CC(NCc1ccccc1)C(=O)c1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
LMNA P02545 2/20 0.49
HSD17B10 Q99714 1/20 0.49
OPRK1 P41145 1/20 0.47
POLB P06746 1/20 0.46
MEP1B Q16820 2/20 0.46
GRIN2B Q13224 3/20 0.45
HIF1A Q16665 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL3052726 1.00 KMT2A (0.51) KMT2ALMNAHSD17B10OPRK1POLB
SCHEMBL3052442 1.00 KMT2A (0.51) KMT2ALMNAHSD17B10OPRK1POLB
SCHEMBL24931077 0.90 KMT2A (0.61) KMT2APOLBMEP1BHIF1ASIGMAR1
SCHEMBL24931076 0.90 KMT2A (0.61) KMT2APOLBMEP1BHIF1ASIGMAR1
SCHEMBL30559566 0.88 SMN1; SMN2 (0.55) KMT2ALMNAPOLBMEP1BHIF1A
Hydrochloric Acid SCHEMBL22614732 0.86 SMN1; SMN2 (0.54) KMT2ALMNAPOLBMEP1BHIF1A
SCHEMBL5076506 0.85 OPRK1 (0.62) KMT2ALMNAHSD17B10OPRK1GRIN2B
SCHEMBL6170323 0.85 LMNA (0.43) LMNAALDH1A1MAPT
SCHEMBL22829007 0.81 KDM4E (0.49) KMT2ALMNAHSD17B10ALDH1A1MAPT
Hydrochloric Acid SCHEMBL22828989 0.80 KDM4E (0.48) KMT2ALMNAHSD17B10ALDH1A1MAPT

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-20100081845-A1 Process for Production of Optically Active Benzylamine Derivatives ALPS PHARMACEUTICAL INC. CO., LTD. (JP) 2010-04-01 US disclosed
US-20100081845-A1 Process for Production of Optically Active Benzylamine Derivatives ALPS PHARMACEUTICAL INC. CO., LTD. (JP) 2010-04-01 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-20100081845-A1 Process for Production of Optically Active Benzylamine Derivatives RAB27A, HTR7, ALKBH1 KMT2A 2717/4885LMNA 2714/4885HSD17B10 1940/4885

“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.