SCHEMBL3100644

SCHEMBL3100644

CCSc1nc2cc(C)ccc2c(C)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.43
LMNA P02545 1/20 0.43
ELANE P08246 1/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LDHA P00338 2/20 0.41
LDHB P07195 2/20 0.41
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.39
PDE10A Q9Y233 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL3098818 0.90 ELANE (0.49) DHODHELANEPKMALDH1A1LDHA
SCHEMBL1722147 0.85 DHODH (0.41) DHODHLMNAALDH1A1KDM4EMEN1
SCHEMBL3110055 0.85 PDE10A (0.56) DHODHELANEALDH1A1KDM4EMEN1
SCHEMBL1721616 0.84 DHODH (0.46) DHODHALDH1A1KDM4EPDE10ARXFP1
SCHEMBL1721367 0.82 PDE10A (0.37) DHODHLMNAALDH1A1KDM4EPDE10A
SCHEMBL15737380 0.80 DHODH (0.49) DHODHLMNAALDH1A1KDM4EPDE10A
SCHEMBL1723158 0.78 SMN1; SMN2 (0.46) LMNAALDH1A1TSHRRXFP1POLB
SCHEMBL1723135 0.75 POLB (0.44) LMNAALDH1A1KDM4EL3MBTL1POLB
SCHEMBL1721271 0.74 TSHR (0.48) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL3089755 0.73 CYP1A2 (0.38) DHODHLMNAKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234372-A1 SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2010-09-16 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-20100234372-A1 SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS KCNQ1, KCNQ2, KCNJ2 DHODH 3196/4885LMNA 1207/4885ELANE 4700/4885

“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.