SCHEMBL3485580

SCHEMBL3485580

CC(C=O)c1c(Cl)cccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 3/20 0.42
CYP2D6 P10635 2/20 0.42
CYP3A4 P08684 1/20 0.42
NFKB1 P19838 1/20 0.42
PNMT P11086 1/20 0.42
LMNA P02545 3/20 0.41
GLA P06280 1/20 0.41
CYP2A6 P11509 1/20 0.35
TSHR P16473 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
BLM P54132 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TYR P14679 1/20 0.32
HSP90AA1 P07900 1/20 0.31
CTSS P25774 1/20 0.31

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
SCHEMBL28757527 0.86 RIPK1 (0.39) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL8161295 0.81 PNMT (0.57) ALDH1A1MEN1KMT2ATDP1CYP1A2
SCHEMBL7038606 0.76 ADRB2 (0.42) ALDH1A1MEN1KMT2ATDP1CYP1A2
SCHEMBL18242660 0.73 CYP1A2 (0.41) ALDH1A1MEN1KMT2ATDP1CYP1A2
SCHEMBL9361949 0.73 CES2 (0.39) TDP1LMNATSHR
SCHEMBL169402 0.73 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATDP1CYP1A2
SCHEMBL279564 0.72 CYP1A2 (0.44) ALDH1A1MEN1KMT2ATDP1CYP1A2
SCHEMBL2353810 0.72 CYP1A2 (0.44) ALDH1A1MEN1KMT2ATDP1CYP1A2
SCHEMBL3109909 0.70 CYP1A2 (0.43) ALDH1A1MEN1KMT2ATDP1CYP1A2
SCHEMBL18242077 0.70 CYP1A2 (0.39) ALDH1A1MEN1KMT2ATDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399684-B2 Sulfonamide-based organocatalysts and method for their use STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 2013-03-19 US disclosed
US-20100184986-A1 SULFONAMIDE-BASED ORGANOCATALYSTS AND METHOD FOR THEIR USE The State of Oregon acting by and through the State Board of Higher Education on behalf of Orego 2010-07-22 US disclosed
US-5973156-A Piperidine and tetrahydropyridine derivatives MERCK SHARP & DOME LTD. (GB) 1999-10-26 US disclosed
EP-0861245-A1 PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1998-09-02 EP disclosed
WO-1997019073-A1 PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-29 WO 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-20100184986-A1 SULFONAMIDE-BASED ORGANOCATALYSTS AND METHOD FOR THEIR USE ALDH7A1, SULT1A1, SULT2A1 ALDH1A1 12/4885MEN1 2273/4885KMT2A 1414/4885

“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.