SCHEMBL25510340

SCHEMBL25510340

CC(N)c1cccc(Cl)c1N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
NFKB1 P19838 1/20 0.67
LMNA P02545 2/20 0.64
ALDH1A1 P00352 2/20 0.64
GLA P06280 1/20 0.64
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
CFD P00746 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ADRB2 P07550 1/20 0.37
NISCH Q9Y2I1 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CXCL8 P10145 1/20 0.36
TSHR P16473 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
SCHEMBL29737250 1.00 PNMT (0.67) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL30051168 0.84 CYP1A2 (0.52) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL3786158 0.84 CYP1A2 (0.52) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL1170186 0.84 CYP1A2 (0.52) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL11505568 0.83 CYP1A2 (0.50) PNMTCYP1A2CYP3A4CYP2D6NFKB1
Methane SCHEMBL27575665 0.83 CYP1A2 (0.50) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL23203567 0.81 CYP1A2 (0.48) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL8207165 0.80 PNMT (1.00) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL158333 0.80 PNMT (1.00) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL8207792 0.80 PNMT (1.00) PNMTCYP1A2CYP3A4CYP2D6NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3964509-B1 COMPOUND CONTAINING FUSED RING, USE THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME NANJING HEPO PHARMACEUTICAL CO LTD (CN) 2023-06-14 EP disclosed
EP-3964509-B1 COMPOUND CONTAINING FUSED RING, USE THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME NANJING HEPO PHARMACEUTICAL CO LTD (CN) 2023-06-14 EP disclosed
US-11661420-B2 Compound containing fused ring, use thereof and pharmaceutical composition containing same NANJING HEPO PHARMACEUTICAL CO., LTD (CN) 2023-05-30 US disclosed
US-11661420-B2 Compound containing fused ring, use thereof and pharmaceutical composition containing same NANJING HEPO PHARMACEUTICAL CO., LTD (CN) 2023-05-30 US disclosed
US-20220213085-A1 COMPOUND CONTAINING FUSED RING, USE THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME NANJING HEPO PHARMACEUTICAL CO., LTD (CN) 2022-07-07 US disclosed
CN-111848601-B Compound containing condensed ring, application thereof and pharmaceutical composition containing compound 南京海璞医药科技有限公司 2022-06-21 CN disclosed
EP-3964509-A1 COMPOUND CONTAINING FUSED RING, USE THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Nanjing Hepo Pharmaceutical Co., Ltd (CN) 2022-03-09 EP disclosed
CN-111848601-A Compound containing condensed ring, application thereof and pharmaceutical composition containing compound 南京海璞医药科技有限公司 2020-10-30 CN 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 (2 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-20220213085-A1 COMPOUND CONTAINING FUSED RING, USE THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME HLA-B, HLA-A, SLC10A1 PNMT 4629/4885CYP1A2 645/4885CYP3A4 86/4885
US-11661420-B2 Compound containing fused ring, use thereof and pharmaceutical composition containing same HLA-B, HLA-A, SLC10A1 PNMT 4629/4885CYP1A2 645/4885CYP3A4 86/4885

“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.