SCHEMBL4884634

SCHEMBL4884634

Cc1ccccc1-n1c(-c2ccccc2)c(C)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 7/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
LMNA P02545 2/20 0.45
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP11B2 P19099 1/20 0.41
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GRIK2 Q13002 1/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
IL1R1 P14778 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL19389209 0.79 TSHR (0.45) TSHRALDH1A1L3MBTL1LMNACYP2C19
SCHEMBL21446133 0.79 TSHR (0.47) TSHRALDH1A1L3MBTL1LMNACYP2C19
SCHEMBL6552455 0.78 TSHR (0.53) TSHRALDH1A1L3MBTL1LMNAHTT
SCHEMBL25809743 0.74 RXRA (0.42) TSHRALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL21037653 0.74 TSPO (0.45) TSHRALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL24848725 0.74 ALKBH5 (0.47) TSHRALDH1A1L3MBTL1LMNAHTT
SCHEMBL4883027 0.74 IL1R1 (0.47) ALDH1A1L3MBTL1CYP11B2HTTGAA
SCHEMBL13335095 0.73 KDM4E (0.50) TSHRALDH1A1L3MBTL1LMNACYP2C19
SCHEMBL14269540 0.73 L3MBTL1 (0.50) ALDH1A1L3MBTL1LMNACYP2C19HTT
SCHEMBL18020159 0.73 ALDH1A1 (0.40) TSHRALDH1A1L3MBTL1LMNAHSD17B10

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-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
EP-1817283-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF Lautens, Mark (CA) 2007-08-15 EP disclosed
WO-2006047888-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2006-05-11 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-20080039625-A1 Screening Methods CBR3, ZKSCAN2, CRBN TSHR 409/4885ALDH1A1 2175/4885L3MBTL1 388/4885

“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.