SCHEMBL30355689

SCHEMBL30355689

CC(C)Cn1nnc2cc(-c3nc(-c4ccccc4Cl)no3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
TP53 P04637 3/20 0.41
TSHR P16473 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 3/20 0.41
S1PR1 P21453 6/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
HPGD P15428 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL23523794 1.00 MAOA (0.41) MAOAMAOBSMN1; SMN2NPC1RAB9A
SCHEMBL30355601 0.89 NPC1 (0.48) SMN1; SMN2NPC1RAB9ATP53MEN1
SCHEMBL23524055 0.89 NPC1 (0.48) SMN1; SMN2NPC1RAB9ATP53MEN1
SCHEMBL25864495 0.88 CASP3 (0.45) SMN1; SMN2NPC1RAB9ATP53TSHR
SCHEMBL30355423 0.84 MAOA (0.43) MAOAMAOBSMN1; SMN2NPC1RAB9A
SCHEMBL23523746 0.84 MAOA (0.43) MAOAMAOBSMN1; SMN2NPC1RAB9A
SCHEMBL23524223 0.80 NPC1 (0.47) SMN1; SMN2NPC1RAB9ATP53MEN1
SCHEMBL30355771 0.80 NPC1 (0.47) SMN1; SMN2NPC1RAB9ATP53MEN1
SCHEMBL30355769 0.80 NPC1 (0.47) SMN1; SMN2NPC1RAB9ATP53MEN1
SCHEMBL27100156 0.78 TSHR (0.41) MAOAMAOBSMN1; SMN2NPC1RAB9A

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-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME TREVENA, INC. 2023-04-13 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 MAOA 3934/4885MAOB 3653/4885SMN1; SMN2 1320/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 MAOA 2931/4885MAOB 2715/4885SMN1; SMN2 619/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 MAOA 3934/4885MAOB 3653/4885SMN1; SMN2 1320/4885

“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.