SCHEMBL3085744

SCHEMBL3085744

CSc1ccc(Cn2c(Cl)[c]c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HCRTR2 O43614 1/20 0.39
CSF1R P07333 1/20 0.38
MEN1 O00255 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 1/20 0.36
XDH P47989 1/20 0.36
RAB9A P51151 2/20 0.35
TNF P01375 1/20 0.35
CXCL8 P10145 1/20 0.35
SOS1 Q07889 1/20 0.35
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35
GALR3 O60755 1/20 0.35
NR2F2 P24468 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
SCHEMBL3084394 0.85 DRD2 (0.43) DRD2ATMSMN1; SMN2HCRTR2CSF1R
SCHEMBL3088034 0.83 P2RX4 (0.50) SMN1; SMN2HCRTR2MEN1KMT2ARAB9A
SCHEMBL15062740 0.83 TNF (0.50) DRD2SMN1; SMN2MEN1CYP1A2CYP2C9
SCHEMBL3084692 0.81 ALOX5AP (0.45) DRD2SMN1; SMN2HCRTR2RAB9ATNF
SCHEMBL3097341 0.79 P2RX4 (0.54) SMN1; SMN2MEN1KMT2ARAB9AALDH1A1
SCHEMBL3079980 0.72 XDH (0.42) DRD2ATMSMN1; SMN2HCRTR2MEN1
SCHEMBL27889039 0.71 GALR3 (0.51) SMN1; SMN2MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL3073048 0.69 P2RX4 (0.51) SMN1; SMN2HCRTR2MEN1KMT2AALDH1A1
SCHEMBL10399302 0.68 CYP19A1 (0.48) SMN1; SMN2MEN1KMT2ATNFALDH1A1
SCHEMBL3093503 0.68 P2RX4 (0.40) SMN1; SMN2MEN1KMT2ARAB9ATNF

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-8207134-B2 Fused ring spiroketal derivative and use thereof as anti-diabetic drug CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-06-26 US disclosed
US-20100234609-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS ANTI-DIABETIC DRUG CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-09-16 US disclosed
EP-2048152-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS DRUG FOR TREATING DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-15 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 (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-20100234609-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS ANTI-DIABETIC DRUG REN, WNK1, GCKR DRD2 1397/4885ATM 1496/4885SMN1; SMN2 3852/4885

“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.