SCHEMBL18997828

SCHEMBL18997828

Cc1cccc(C(=O)N(C)CC(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.49
GRM5 P41594 1/20 0.43
SORT1 Q99523 1/20 0.42
CTSA P10619 2/20 0.39
NPC1 O15118 1/20 0.37
NAMPT P43490 1/20 0.37
ITK Q08881 2/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.37
FAAH O00519 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL19001346 0.83 NPC1 (0.39) CTSANPC1NAMPTITKUBE2M
SCHEMBL12678009 0.82 P2RX7 (0.53) P2RX7GRM5CTSANPC1RAB9A
SCHEMBL8575197 0.78 P2RX7 (0.55) P2RX7GRM5CTSARAB9ACYP1A2
SCHEMBL7655284 0.74 CYP1A2 (0.39) P2RX7NPC1RAB9ACYP1A2MEN1
SCHEMBL10085785 0.73 P2RX7 (0.54) P2RX7GRM5NPC1RAB9ACYP1A2
SCHEMBL14875787 0.73 P2RX7 (0.50) P2RX7GRM5CTSANPC1RAB9A
SCHEMBL7651990 0.73 ROCK2 (0.39) NPC1RAB9ACYP1A2MEN1KMT2A
SCHEMBL3739445 0.72 P2RX7 (0.49) P2RX7GRM5NPC1RAB9ACYP1A2
SCHEMBL20460420 0.72 JUN (0.35) NPC1NAMPTITKMEN1KMT2A
SCHEMBL7659676 0.72 CYP1A2 (0.37) NPC1RAB9ACYP1A2MEN1KMT2A

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-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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 (3 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-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 P2RX7 1522/4885GRM5 1519/4885SORT1 4113/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS P2RX7 4037/4885GRM5 3906/4885SORT1 4246/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 P2RX7 1522/4885GRM5 1519/4885SORT1 4113/4885

“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.