SCHEMBL5447642

SCHEMBL5447642

Cc1ccc(C2(c3ccc(C)cc3)C(=O)NC(=O)NC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.44
MMP9 P14780 6/20 0.44
HTT P42858 2/20 0.43
MMP8 P22894 2/20 0.42
ADAM17 P78536 1/20 0.41
CNR1 P21554 1/20 0.39
GPR35 Q9HC97 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
MMP3 P08254 2/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.36
ACHE P22303 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KCNH2 Q12809 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
LMNA P02545 2/20 0.35
CHRM2 P08172 1/20 0.35
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL7477539 0.78 MMP2 (0.41) MMP2MMP9HTTMMP8ADAM17
SCHEMBL9841218 0.77 NPSR1 (0.43) MMP2MMP9ADAM17MMP13MMP14
SCHEMBL2615290 0.75 MMP2 (0.67) MMP2MMP9HTTMMP8ADAM17
SCHEMBL3207324 0.74 MMP9 (0.59) MMP2MMP9MMP8MMP3MMP13
SCHEMBL3195931 0.74 MMP9 (0.59) MMP2MMP9MMP8MMP3MMP13
SCHEMBL1861823 0.74 MMP9 (0.59) MMP2MMP9MMP8MMP3MMP13
SCHEMBL10521481 0.74 CYP2C9 (0.64) MMP2MMP9HTTMMP8ADAM17
SCHEMBL542561 0.72 LMNA (0.53) MMP2MMP9ADAM17KCNH2LMNA
SCHEMBL20134878 0.72 LMNA (0.53) MMP2MMP9ADAM17KCNH2LMNA
SCHEMBL20134752 0.69 ADAM17 (0.45) MMP2MMP9HTTMMP8ADAM17

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-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative L'OREAL S.A. 2007-06-14 US claimed
US-20050262647-A1 Agent for dyeing fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2005-12-01 US disclosed
EP-0137343-B1 NOVEL OXOPYRIMIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Taro Pharmaceutical Industries Ltd. (IL) 1991-12-04 EP disclosed
US-4628056-A Novel oxopyrimidine derivatives, pharmaceutical compositions containing them and their use as anticonvulsant, antianxiety and muscle relaxant agents TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 1986-12-09 US disclosed
EP-0137343-A2 Novel oxopyrimidine derivatives and pharmaceutical compositions containing them Taro Pharmaceutical Industries Ltd. (IL) 1985-04-17 EP 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 (2 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-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative KRT18, NDUFB5, NDUFB7 MMP2 1459/4885MMP9 3661/4885HTT 3885/4885
US-20050262647-A1 Agent for dyeing fibers containing keratin KRT18, CKAP4, KRTCAP2 MMP2 1928/4885MMP9 4222/4885HTT 1656/4885

“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.