SCHEMBL3913700

SCHEMBL3913700

CC[C@@H](N)CNc1cc(C(=O)O)nc(-c2cc(Cl)ccc2O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ CDK9 P50750 4/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ CASP3 P42574 2/20 0.46
▸ SENP7 Q9BQF6 2/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ CDK5 Q00535 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ CDK5R1 Q15078 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ PRKD3 O94806 2/20 0.44
▸ PRKD1 Q15139 2/20 0.44
▸ PRKD2 Q9BZL6 2/20 0.44
▸ MEN1 O00255 6/20 0.43
▸ KMT2A Q03164 6/20 0.43

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
SCHEMBL3913704 1.00 LMNA (0.46) LMNASMN1; SMN2CDK9KDM4ENPC1
SCHEMBL3913706 1.00 LMNA (0.46) LMNASMN1; SMN2CDK9KDM4ENPC1
SCHEMBL8222219 0.86 P2RX1 (0.47) LMNASMN1; SMN2CDK9KDM4ENPC1
SCHEMBL4510950 0.86 PRKD3 (0.42) LMNASMN1; SMN2CDK9KDM4ENPC1
SCHEMBL4510945 0.86 PRKD3 (0.42) LMNASMN1; SMN2CDK9KDM4ENPC1
SCHEMBL4498405 0.85 KMT2A (0.49) LMNASMN1; SMN2CDK9KDM4ENPC1
SCHEMBL4498417 0.85 KMT2A (0.49) LMNASMN1; SMN2CDK9KDM4ENPC1
SCHEMBL4509540 0.85 CDK9 (0.52) LMNASMN1; SMN2CDK9KDM4ENPC1
SCHEMBL4509551 0.85 CDK9 (0.52) LMNASMN1; SMN2CDK9KDM4ENPC1
SCHEMBL4509563 0.85 CDK9 (0.52) LMNASMN1; SMN2CDK9KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 — — US disclosed
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 — — US disclosed
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 — — US disclosed
CN-101479246-A Amino-ethyl-amino-aryl (AEAA) compounds and their use CANCER REC TECH LTD (GB) 2009-07-08 — — CN disclosed
EP-2024333-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2009-02-18 — — EP disclosed
WO-2007125331-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-08 — — WO disclosed
WO-2007125331-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-08 — — WO 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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE PKD2, PKD1, AADAT LMNA 2132/4885SMN1; SMN2 4800/4885CDK9 303/4885

“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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