SCHEMBL17909688

SCHEMBL17909688

NC1Sc2ccccc2N1C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 9/20 0.50
▸ ACHE P22303 5/20 0.50
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ P2RX4 Q99571 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ SLC6A3 Q01959 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
SCHEMBL8834714 0.76 CACNA1C (0.40) BCHEACHEMEN1KMT2AALDH1A1
SCHEMBL6070112 0.76 KMT2A (0.38) BCHEACHEMEN1KMT2AMAPK1
SCHEMBL28862923 0.75 BCHE (0.44) BCHEACHEMEN1KMT2AP2RX4
SCHEMBL28332817 0.68 BCHE (0.44) BCHEACHEMEN1KMT2ALMNA
SCHEMBL11031412 0.68 ALDH1A1 (0.50) ALDH1A1HPGDLMNA
SCHEMBL5259661 0.67 MAOA (0.35) BCHEACHEMEN1KMT2AALDH1A1
SCHEMBL28862964 0.67 KMT2A (0.43) BCHEACHEMEN1KMT2ASMN1; SMN2
SCHEMBL4983323 0.67 POLB (0.33) BCHEACHEALDH1A1SMN1; SMN2POLB
SCHEMBL343497 0.67 BCHE (1.00) BCHEACHEMEN1KMT2AP2RX4
SCHEMBL11073006 0.67 BCHE (0.41) BCHEACHEMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9789096-B2 Methods and compositions for selective and targeted cancer therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-10-17 — — US disclosed
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-07-14 — — 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-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy NCOA4, SREBF1, ACOX1 BCHE 1656/4885ACHE 4034/4885MEN1 4719/4885

“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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