SCHEMBL13168979

SCHEMBL13168979

CCc1cc2c(cc1-c1ccc(Cl)cc1OC)CCN2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 2/20 0.39
▸ F7 P08709 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ F3 P13726 1/20 0.39
▸ CCNT1 O60563 3/20 0.38
▸ CDK9 P50750 3/20 0.38
▸ ADORA2B P29275 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ TUBA3C P0DPH7 1/20 0.35
▸ TUBA1B P68363 1/20 0.35
▸ TUBA4A P68366 1/20 0.35
▸ TUBB4B P68371 1/20 0.35
▸ TUBB3 Q13509 1/20 0.35
▸ TUBB2A Q13885 1/20 0.35
▸ TUBB8 Q3ZCM7 1/20 0.35
▸ TUBA3E Q6PEY2 1/20 0.35
▸ TUBA1A Q71U36 1/20 0.35
▸ TUBA1C Q9BQE3 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
SCHEMBL13262382 0.84 ACHE (0.40) PARP10PARP1PARP11SMN1; SMN2TSHR
SCHEMBL13168980 0.75 ABCC4 (0.40) CYP19A1CYP11B1CYP11B2
SCHEMBL14389921 0.71 DRD2 (0.42) PARP10F7PARP1F3SMN1; SMN2
SCHEMBL9072587 0.70 SMN1; SMN2 (0.45) PARP10PARP1LMNAPARP11SMN1; SMN2
SCHEMBL9001655 0.70 TLR8 (0.44) F7F3ADORA2BLMNATUBB4A
SCHEMBL22340168 0.68 HTR2C (0.53) TSHRDRD2DRD4
SCHEMBL8529136 0.68 DRD2 (0.42) PARP10F7PARP1F3LMNA
SCHEMBL5564105 0.67 MAOA (0.49) LMNATSHRDRD2DRD4
SCHEMBL8151401 0.67 TRPV4 (0.52) LMNATRPV4TSHRTP53
SCHEMBL13448489 0.66 SMN1; SMN2 (0.42) PARP10PARP1LMNAPARP11SMN1; SMN2

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-20100249180-A1 ISOTHIAZOLOPYRIDINONES USEFUL FOR THE TREATMENT OF (INTER ALIA) CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-30 — — 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-20100249180-A1 ISOTHIAZOLOPYRIDINONES USEFUL FOR THE TREATMENT OF (INTER ALIA) CYSTIC FIBROSIS CFTR, ABCB1, ABCC8 PARP10 3695/4885F7 4827/4885PARP1 3961/4885

“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