SCHEMBL20031180

SCHEMBL20031180

Cc1nccc(C(C)(C)I)n1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.35
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
AAK1 Q2M2I8 2/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL25469619 0.84 GRM4 (0.36) GRM4KDM4ELMNAALDH1A1POLB
SCHEMBL803084 0.82 SYK (0.39) GRM4KDM4ELMNAAAK1ALDH1A1
SCHEMBL10193126 0.78 GRM4 (0.35) GRM4KDM4ELMNAAAK1ALDH1A1
SCHEMBL28203328 0.78 HCRTR1 (0.35) GRM4KDM4ELMNAAAK1
SCHEMBL20909663 0.78 GRM4 (0.35) GRM4KDM4ELMNAAAK1ALDH1A1
SCHEMBL19670056 0.77 ADORA2A (0.33)
SCHEMBL171691 0.76 ADRB1 (0.43) GRM4KDM4E
SCHEMBL20350390 0.75 GRM4 (0.33) GRM4KDM4ELMNAAAK1
SCHEMBL16454353 0.74 JAK2 (0.43) GRM4KDM4ELMNAAAK1
SCHEMBL28173201 0.72 SORT1 (0.36) GRM4KDM4ELMNAAAK1ALDH1A1

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-20180094010-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE NEWGEN THERAPEUTICS INC (US) 2018-04-05 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-20180094010-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP11 GRM4 4053/4885KDM4E 2241/4885LMNA 1058/4885

“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.