SCHEMBL25855482

SCHEMBL25855482

Nc1cc(N2CCCCC2)ncc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.43
UBE2T Q9NPD8 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
AR P10275 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NR1I2 O75469 2/20 0.40
SMARCA2 P51531 2/20 0.40
SMARCA4 P51532 2/20 0.40
PBRM1 Q86U86 2/20 0.40
SMPD3 Q9NY59 1/20 0.40
IP6K1 Q92551 1/20 0.39
HRH4 Q9H3N8 3/20 0.39
NUDT1 P36639 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL20089110 0.83 CNR2 (0.46) CNR2UBE2TSMN1; SMN2LMNATSHR
SCHEMBL30280743 0.81 CNR2 (0.44) CNR2UBE2TSMN1; SMN2LMNATSHR
SCHEMBL12488177 0.81 CNR2 (0.44) CNR2UBE2TSMN1; SMN2LMNATSHR
SCHEMBL21262379 0.79 AR (0.44) CNR2UBE2TSMN1; SMN2LMNATSHR
SCHEMBL15544107 0.77 CNR2 (0.41) CNR2UBE2TSMN1; SMN2CRHBPCRHR2
SCHEMBL24196359 0.76 AR (0.42) CNR2UBE2TSMN1; SMN2CRHBPCRHR2
SCHEMBL21262026 0.76 CNR2 (0.44) CNR2UBE2TSMN1; SMN2LMNACRHBP
SCHEMBL31167759 0.75 CNR2 (0.47) CNR2UBE2TSMN1; SMN2LMNACYP1A2
SCHEMBL1928954 0.75 AR (0.41) CNR2UBE2TSMN1; SMN2LMNATSHR
SCHEMBL7573850 0.74 ALDH1A1 (0.46) LMNATSHRKMT2AKDM4EALDH1A1

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-20230212158-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2023-07-06 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-20230212158-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS1, LGALS3BP CNR2 4096/4885UBE2T 4220/4885SMN1; SMN2 4177/4885

“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.