SCHEMBL14124306

SCHEMBL14124306

O=C(CCCCc1ccccc1)Nc1ccc2cnccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT3 O60678 1/20 0.66
▸ IMPDH2 P12268 2/20 0.62
▸ ROCK1 Q13464 3/20 0.57
▸ LMNA P02545 2/20 0.56
▸ ROCK2 O75116 5/20 0.55
▸ PLAU P00749 1/20 0.55
▸ NOTUM Q6P988 2/20 0.55
▸ KDM6B O15054 1/20 0.54
▸ KDM4D Q6B0I6 1/20 0.54
▸ KDM4C Q9H3R0 1/20 0.54
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ HDAC3 O15379 1/20 0.53
▸ HDAC4 P56524 1/20 0.53
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC7 Q8WUI4 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ HDAC10 Q969S8 1/20 0.53
▸ HDAC11 Q96DB2 1/20 0.53

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
SCHEMBL3566775 0.93 PRMT3 (0.72) PRMT3IMPDH2ROCK1LMNAROCK2
SCHEMBL2164137 0.90 PRMT3 (0.69) PRMT3IMPDH2ROCK1LMNAROCK2
SCHEMBL19860126 0.85 PRMT3 (0.65) PRMT3IMPDH2ROCK1ROCK2NOTUM
SCHEMBL24735962 0.84 IMPDH2 (0.69) PRMT3IMPDH2ROCK1ROCK2NOTUM
SCHEMBL19860123 0.82 IMPDH2 (0.71) PRMT3IMPDH2ROCK1ROCK2NOTUM
SCHEMBL19860125 0.82 PRMT3 (0.71) PRMT3IMPDH2ROCK1LMNAROCK2
SCHEMBL14124401 0.82 IMPDH2 (0.61) PRMT3IMPDH2LMNAROCK2PLAU
SCHEMBL21430054 0.81 IMPDH2 (0.62) PRMT3IMPDH2ROCK1ROCK2NOTUM
SCHEMBL2205200 0.81 LMNA (0.80) LMNAKDM6BKDM4DKDM4CNPC1
SCHEMBL19860082 0.81 ROCK1 (0.60) PRMT3IMPDH2ROCK1LMNAROCK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455513-B2 Kinase inhibitors; anticarcinogenic agents; obesity, glaucoma; N-(4-(3-(isoquinolin-6-ylamino)-3-oxopropyl)phenyl)-4-methoxybenzamide AERIE PHARMACEUTICALS, INC. (US) 2013-06-04 — — US disclosed
US-8455513-B2 Kinase inhibitors; anticarcinogenic agents; obesity, glaucoma; N-(4-(3-(isoquinolin-6-ylamino)-3-oxopropyl)phenyl)-4-methoxybenzamide AERIE PHARMACEUTICALS, INC. (US) 2013-06-04 — — US disclosed
US-20080167340-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2008-07-10 — — US disclosed
US-20080167340-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2008-07-10 — — 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-20080167340-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK PRMT3 1026/4885IMPDH2 2131/4885ROCK1 375/4885

“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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