SCHEMBL3013314

SCHEMBL3013314

Cc1cc(C)cc(CC(=O)CCl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
CNR1 P21554 1/20 0.38
TPMT P51580 1/20 0.38
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38
MAPK8 P45983 1/20 0.37
IDH1 O75874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
POLB P06746 2/20 0.35
HTT P42858 4/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL12205412 0.86 TPMT (0.44) ALDH1A1TPMTPGK1PGK2MAPK8
SCHEMBL3016501 0.80 CTBP2 (0.54) ALDH1A1CNR1MAPK8POLBHTT
SCHEMBL31618773 0.80 IDH1 (0.40) ALDH1A1TPMTPGK1PGK2MAPK8
SCHEMBL3993196 0.78 L3MBTL1 (0.55) ALDH1A1TDP1L3MBTL1SMN1; SMN2LMNA
SCHEMBL2529212 0.77 TPMT (0.41) ALDH1A1CNR1TPMTPGK1PGK2
SCHEMBL4446565 0.77 TPMT (0.41) TPMTPGK1PGK2MAPK8POLB
SCHEMBL3011945 0.77 ALDH1A1 (0.41) ALDH1A1POLBHTTL3MBTL1SMN1; SMN2
SCHEMBL12709638 0.75 POLB (0.40) ALDH1A1TPMTPGK1PGK2MAPK8
SCHEMBL1257778 0.75 TPMT (0.42) ALDH1A1TPMTPGK1PGK2MAPK8
SCHEMBL10865907 0.75 TPMT (0.42) ALDH1A1TPMTPGK1PGK2MAPK8

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-8722681-B2 N-sulfonyl thiazolylpiperazine derivatives and related N-sulfonyl heterocyclic derivatives for the treatment of neuro degenerative diseases NV REMYND (BE) 2014-05-13 US disclosed
US-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2010-08-05 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-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES SMN1; SMN2, HTT, SNCA ALDH1A1 3510/4885CNR1 3069/4885TPMT 797/4885

“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.