SCHEMBL24211773

SCHEMBL24211773

CCOc1ccc(CCNNC(=N)N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 2/20 0.50
▸ PRSS2 P07478 2/20 0.50
▸ PRSS3 P35030 2/20 0.50
▸ ACACB O00763 2/20 0.48
▸ TAS1R3 Q7RTX0 1/20 0.45
▸ TAS1R1 Q7RTX1 1/20 0.45
▸ TAS1R2 Q8TE23 1/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ ALPI P09923 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PARP10 Q53GL7 1/20 0.42
▸ NQO1 P15559 1/20 0.42
▸ SLC5A1 P13866 1/20 0.42
▸ SLC5A2 P31639 1/20 0.42
▸ ADRA2A P08913 1/20 0.41

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
SCHEMBL10310255 0.84 ACACB (0.57) PRSS1PRSS2PRSS3ACACBTAS1R3
SCHEMBL24211854 0.75 F10 (0.50) PRSS1PRSS2PRSS3NPC1MAPT
SCHEMBL4100874 0.74 PRSS1 (0.56) PRSS1PRSS2PRSS3NPC1RAB9A
SCHEMBL24212178 0.74 KMT2A (0.61) MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL2910125 0.73 NQO1 (0.56) ACACBTAS1R3TAS1R1TAS1R2NPC1
SCHEMBL9193560 0.72 NOS1 (0.68) PRSS1PRSS2PRSS3NPC1MAPT
SCHEMBL28616323 0.72 NQO1 (0.74) ACACBSMN1; SMN2LMNAPARP10NQO1
SCHEMBL2572011 0.72 PRSS1 (0.61) PRSS1PRSS2PRSS3SMN1; SMN2LMNA
SCHEMBL1542164 0.71 ST14 (0.45) PRSS1PRSS2PRSS3ACACBNPC1
SCHEMBL27793869 0.71 LTA4H (0.70) LMNAALDH1A1NQO1SLC5A1SLC5A2

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-20220015367-A1 SELF-ASSEMBLED ACTIVE AGENTS METHODS PRODUCTS PBC 2022-01-20 — — 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-20220015367-A1 SELF-ASSEMBLED ACTIVE AGENTS PCNA, POLM, MUS81 PRSS1 1875/4885PRSS2 1708/4885PRSS3 2087/4885

“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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