SCHEMBL3489306

SCHEMBL3489306

Cc1ccc(-c2c(Br)c(C)nn2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
LMNA P02545 4/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 3/20 0.41
GALR3 O60755 1/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP2 O95551 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
GRM5 P41594 1/20 0.36
AHR P35869 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
NPC1 O15118 2/20 0.35
TP53 P04637 2/20 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
SCHEMBL3489083 0.85 SLC34A1 (0.45) MAPTSMN1; SMN2KDM4EGALR3HTT
SCHEMBL3489183 0.85 SMN1; SMN2 (0.48) MAPTLMNASMN1; SMN2KDM4EGALR3
SCHEMBL4158211 0.85 MAPT (0.49) MAPTLMNASMN1; SMN2KDM4EGALR3
SCHEMBL14996604 0.80 GRM5 (0.43) MAPTLMNAPKMSMN1; SMN2KDM4E
SCHEMBL12859323 0.78 LMNA (0.38) MAPTLMNAPKMSMN1; SMN2KDM4E
SCHEMBL3488391 0.78 GRM5 (0.42) MAPTLMNASMN1; SMN2KDM4EGALR3
SCHEMBL23401189 0.77 LMNA (0.40) MAPTLMNAPKMSMN1; SMN2KDM4E
SCHEMBL16200256 0.77 L3MBTL1 (0.45) MAPTLMNAPKMSMN1; SMN2KDM4E
SCHEMBL3488557 0.74 OPRL1 (0.39) MAPTLMNASMN1; SMN2KDM4EGALR3
SCHEMBL16200159 0.74 LMNA (0.43) MAPTLMNASMN1; SMN2KDM4EGALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 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-20100094000-A1 PYRAZOLE COMPOUNDS NR3C2, MC2R, NR3C1 MAPT 2903/4885LMNA 4586/4885PKM 1263/4885

“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.