SCHEMBL4480859

SCHEMBL4480859

CCCc1cc(Cl)c(C(=O)OCC)c(C2CN(Cc3ccccc3)CC2C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 1/20 0.41
ADORA1 P30542 1/20 0.41
KMT2A Q03164 1/20 0.41
USP30 Q70CQ3 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 2/20 0.39
S1PR1 P21453 2/20 0.38
S1PR5 Q9H228 2/20 0.38
PRMT1 Q99873 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
PRKX P51817 1/20 0.37
ACVR1 Q04771 1/20 0.37
TDP2 O95551 1/20 0.37
NSD2 O96028 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
SCHEMBL4480273 0.92 USP30 (0.42) MAPTLMNAMEN1ADORA1KMT2A
SCHEMBL4480268 0.92 USP30 (0.42) MAPTLMNAMEN1ADORA1KMT2A
SCHEMBL5575775 0.80 LMNA (0.45) MAPTLMNAMEN1ADORA1KMT2A
SCHEMBL4464380 0.80 PDE4B (0.40) LMNAMEN1ADORA1KMT2ASMN1; SMN2
SCHEMBL4484948 0.79 TSHR (0.46) MAPTLMNAMEN1ADORA1KMT2A
SCHEMBL30728803 0.77 PRMT1 (0.50) LMNAMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL27042490 0.77 PRMT1 (0.50) LMNAMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL30728773 0.77 PRMT1 (0.50) LMNAMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL5573343 0.76 DPP4 (0.35) LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL31450059 0.73 USP30 (0.50) USP30SMN1; SMN2S1PR5ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572805-B2 Pyrrolo(oxo)isoquinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
EP-1778225-A2 PYRROLO(OXO)ISOQUINOLINES AS 5HT LIGANDS Bristol-Myers Squibb Company (US) 2007-05-02 EP disclosed
WO-2006019886-A2 PYRROLO(OXO)ISOQUINOLINES AS 5HT LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 WO disclosed
US-20060014777-A1 Pyrrolo(oxo)isoquinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY 2006-01-19 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-20060014777-A1 Pyrrolo(oxo)isoquinolines as 5HT ligands HTR2B, OPRD1, HTR1B MAPT 3883/4885LMNA 3051/4885MEN1 1307/4885

“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.