SCHEMBL19972055

SCHEMBL19972055

CC(C)c1ccc(C(C)C)c(S)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
SLC6A2 P23975 2/20 0.32
HTR2B P41595 2/20 0.32
TRPA1 O75762 1/20 0.32
CHRM1 P11229 1/20 0.32
ADRA1A P35348 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
FAAH O00519 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
PTGS1 P23219 1/20 0.32
HTR2C P28335 1/20 0.32
GABRB3 P28472 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
SCHEMBL9879909 0.81 GABRA1 (0.39) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL830351 0.74 GABRA1 (0.35) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL19972057 0.73 GABRA1 (0.46) LMNASLC6A2HTR2BGABRA1GABRB2
SCHEMBL19998489 0.72 LMNA (0.38) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL19972005 0.71 CYP3A4 (0.44) LMNASLC6A2HTR2BGABRA1GABRB2
SCHEMBL104314 0.70 GABRA1 (0.55) LMNASLC6A2HTR2BGABRA1GABRB2
SCHEMBL3191750 0.70 GABRA1 (0.55) LMNASLC6A2HTR2BGABRA1GABRB2
SCHEMBL19972025 0.70 GABRA1 (0.54) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL6542243 0.70 POLB (0.42) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL19972017 0.70 P2RX3 (0.30)

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-9957241-B2 Aromatic diamine, an intermediate therefor, a method for producing the aromatic diamine, and a method for producing the intermediate therefor SEIKA CORPORATION (JP) 2018-05-01 US disclosed
US-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR SEIKA CORPORATION (JP) 2018-03-22 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-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR WEE1, WEE2, WASF2 LMNA 3051/4885SLC6A2 2237/4885HTR2B 3053/4885

“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.