SCHEMBL29945375

SCHEMBL29945375

c1ccc(CCCNCc2ccco2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.67
▸ SIGMAR1 Q99720 8/20 0.58
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ CA12 O43570 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CA4 P22748 1/20 0.54
▸ MPO P05164 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ BCHE P06276 1/20 0.48

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
SCHEMBL9275185 0.95 CHRM2 (0.70) CHRM2SIGMAR1CYP1A2CYP2D6TSHR
SCHEMBL29802812 0.90 CA12 (0.64) CHRM2SIGMAR1CYP1A2CYP2D6TSHR
SCHEMBL11835637 0.86 CHRM2 (0.76) CHRM2CYP1A2CYP2D6TSHRCA12
SCHEMBL13278276 0.84 CHRM2 (0.85) CHRM2CYP1A2CYP2D6TSHRCA12
SCHEMBL30141723 0.84 CHRM2 (0.92) CHRM2CYP1A2CYP2D6TSHRCA12
SCHEMBL30141751 0.82 CHRM2 (0.96) CHRM2CYP1A2CYP2D6TSHRCA12
SCHEMBL11069595 0.82 CHRM2 (0.96) CHRM2CYP1A2CYP2D6TSHRCA12
SCHEMBL11073153 0.82 CHRM2 (0.96) CHRM2CYP1A2CYP2D6TSHRCA12
SCHEMBL11014192 0.80 MEN1 (0.71) CHRM2CYP1A2CYP2D6TSHRALDH1A1
SCHEMBL1642902 0.80 CHRM2 (0.77) CHRM2CYP1A2CYP2D6TSHRCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773064-B2 4-carboxamido-isoindolinone derivatives as selective PARP-1 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2023-10-03 — — US disclosed
US-20220363636-A1 4-CARBOXAMIDO-ISOINDOLINONE DERIVATIVES AS SELECTIVE PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2022-11-17 — — 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 (2 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-11773064-B2 4-carboxamido-isoindolinone derivatives as selective PARP-1 inhibitors PARP1, PARP2, PARP12 CHRM2 4764/4885SIGMAR1 4168/4885CYP1A2 1544/4885
US-20220363636-A1 4-CARBOXAMIDO-ISOINDOLINONE DERIVATIVES AS SELECTIVE PARP-1 INHIBITORS PARP1, PARP2, PARP12 CHRM2 4759/4885SIGMAR1 4176/4885CYP1A2 1518/4885

“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.

Send feedback