SCHEMBL24211854

SCHEMBL24211854

CC(C)c1ccc(CCNNC(=N)N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 5/20 0.50
▸ PRSS1 P07477 3/20 0.50
▸ PRSS2 P07478 3/20 0.50
▸ PRSS3 P35030 3/20 0.50
▸ IDO1 P14902 2/20 0.43
▸ LMNA P02545 3/20 0.42
▸ ADRB2 P07550 2/20 0.42
▸ HIF1A Q16665 2/20 0.42
▸ SLC6A2 P23975 2/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ OPRM1 P35372 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ GALR3 O60755 1/20 0.42
▸ ADRB1 P08588 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ ADRB3 P13945 1/20 0.41
▸ TMEM97 Q5BJF2 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
SCHEMBL12997107 0.83 F10 (0.49) F10PRSS1PRSS2PRSS3IDO1
SCHEMBL24211763 0.83 RAB9A (0.55) F10PRSS1PRSS2PRSS3IDO1
Hydrochloric Acid SCHEMBL28482528 0.82 F10 (0.48) F10PRSS1PRSS2PRSS3IDO1
SCHEMBL18624763 0.78 F10 (0.45) F10PRSS1PRSS2PRSS3IDO1
SCHEMBL24211773 0.75 PRSS1 (0.50) PRSS1PRSS2PRSS3LMNAALDH1A1
SCHEMBL24212178 0.73 KMT2A (0.61) LMNAADRB2HIF1ASLC6A4OPRM1
SCHEMBL8399380 0.73 MEN1 (0.51) IDO1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL2909949 0.71 TAAR1 (0.63) IDO1LMNAADRB2HIF1ASLC6A2
SCHEMBL10729588 0.70 IDO1 (0.56) IDO1LMNAALDH1A1NPC1RAB9A
SCHEMBL18719689 0.70 IDO1 (0.48) F10PRSS1PRSS2PRSS3IDO1

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 F10 1145/4885PRSS1 1875/4885PRSS2 1708/4885

“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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