SCHEMBL9289349

SCHEMBL9289349

CCc1ccccc1-c1ccn(C)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.50
▸ TLR8 Q9NR97 1/20 0.44
▸ ADRA1D P25100 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ ADRA1B P35368 1/20 0.43
▸ TGFBR1 P36897 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ HSD17B13 Q7Z5P4 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ KCNN4 O15554 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ GRM5 P41594 2/20 0.37
▸ MAPK8 P45983 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ MPO P05164 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ JMJD6 Q6NYC1 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
SCHEMBL19589424 0.84 MPO (0.46) KMT2AADRA1DADRA1AADRA1BTGFBR1
SCHEMBL24359763 0.83 GABRA1 (0.50) KMT2AADRA1DADRA1AADRA1BTGFBR1
SCHEMBL24352870 0.81 ADRA1D (0.46) KMT2AADRA1DADRA1AADRA1BTGFBR1
SCHEMBL17198955 0.80 TYK2 (0.40) KMT2ATLR8ADRA1DADRA1AADRA1B
SCHEMBL24352233 0.77 ADRA1D (0.43) KMT2AADRA1DADRA1AADRA1BKEAP1
SCHEMBL31415414 0.76 KEAP1 (0.50) KMT2ACYP19A1KEAP1CASP6KDM4E
SCHEMBL29767299 0.75 KMT2A (0.55) KMT2ATLR8ADRA1DADRA1AADRA1B
SCHEMBL16574032 0.75 KMT2A (0.55) KMT2ATLR8ADRA1DADRA1AADRA1B
SCHEMBL1095492 0.75 KMT2A (0.55) KMT2AADRA1DADRA1AADRA1BTGFBR1
SCHEMBL18713633 0.74 KMT2A (0.46) KMT2AADRA1DADRA1AADRA1BTGFBR1

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
EP-3401974-B1 HOST MATERIALS FOR PHOSPHORESCENT OLEDS UNIVERSAL DISPLAY CORP (US) 2023-06-28 — — EP disclosed
US-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 — — 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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND BACE1, STS, APP KMT2A 1883/4885TLR8 4536/4885ADRA1D 1900/4885

“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.

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