SCHEMBL19490441

SCHEMBL19490441

CC1Oc2cccc(C(C)C)c2NC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.53
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE3B Q13370 3/20 0.33
PDE3A Q14432 3/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
FAAH O00519 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GABRA1 P14867 1/20 0.32
HPGD P15428 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL5671423 0.79 PARP1 (0.57) PARP1TSHRTP53SMN1; SMN2PDE3B
SCHEMBL3637630 0.78 PARP1 (0.56) PARP1TSHRTP53SMN1; SMN2PDE3B
SCHEMBL16823814 0.78 PARP1 (0.56) PARP1TSHRTP53SMN1; SMN2PDE3B
SCHEMBL20992169 0.78 PARP1 (0.56) PARP1TSHRTP53SMN1; SMN2PDE3B
SCHEMBL3589207 0.78 PARP1 (0.56) PARP1TSHRTP53SMN1; SMN2PDE3B
SCHEMBL3642063 0.78 PARP1 (0.56) PARP1TSHRTP53SMN1; SMN2PDE3B
SCHEMBL17050354 0.78 PARP1 (0.56) PARP1TSHRTP53SMN1; SMN2PDE3B
SCHEMBL18611861 0.76 PARP1 (0.54) PARP1TSHRTP53SMN1; SMN2PDE3B
SCHEMBL17031847 0.75 PARP1 (0.53) PARP1TSHRTP53SMN1; SMN2PDE3B
SCHEMBL20345321 0.75 PARP1 (0.53) PARP1TSHRTP53SMN1; SMN2BRD4

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-10464956-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-11-05 US disclosed
US-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-05-14 US disclosed
US-9796741-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-10-24 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-10464956-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders TFPI, CFD, F3 PARP1 1220/4885TSHR 846/4885TP53 1651/4885
US-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 PARP1 2445/4885TSHR 744/4885TP53 3956/4885

“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.