SCHEMBL20536628

SCHEMBL20536628

C#CCN(CC#C)Cc1cc(NC(C)=O)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
CA12 O43570 1/20 0.40
BRD4 O60885 1/20 0.40
NR1I2 O75469 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MB P02144 1/20 0.40
CYP1A1 P04798 1/20 0.40
CA3 P07451 1/20 0.40
CYP3A4 P08684 1/20 0.40
RARG P13631 1/20 0.40
TSHR P16473 1/20 0.40
ALOX5AP P20292 1/20 0.40
CA4 P22748 1/20 0.40

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
SCHEMBL30230771 0.82 POLB (0.63) POLBPKMSMN1; SMN2MEN1KMT2A
SCHEMBL15094312 0.82 POLB (0.63) POLBPKMSMN1; SMN2MEN1KMT2A
SCHEMBL8540010 0.81 POLB (0.47) POLBPKMSMN1; SMN2MEN1KMT2A
Benzene SCHEMBL9058508 0.80 POLB (0.46) POLBPKMSMN1; SMN2MEN1KMT2A
SCHEMBL28837437 0.79 POLB (0.50) POLBPKMSMN1; SMN2MEN1KMT2A
SCHEMBL31198180 0.77 POLB (0.58) POLBPKMSMN1; SMN2MEN1KMT2A
SCHEMBL8205051 0.74 GABRA1 (0.53) POLBPKMSMN1; SMN2MEN1KMT2A
SCHEMBL9773576 0.73 POLB (0.50) POLBPKMSMN1; SMN2MEN1KMT2A
SCHEMBL28627643 0.73 EGFR (0.57) POLBPKMSMN1; SMN2MEN1KMT2A
SCHEMBL5837263 0.72 POLB (0.54) POLBPKMSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11571416-B2 Amodiaquine analogs and methods of uses thereof KAGOSHIMA UNIVERSITY (JP) 2023-02-07 US disclosed
US-20200113891-A1 NOVEL AMODIAQUINE ANALOGS AND METHODS OF USES THEREOF KAGOSHIMA UNIVERSITY (JP) 2020-04-16 US disclosed
WO-2018191642-A1 NOVEL AMODIAQUINE ANALOGS AND METHODS OF USES THEREOF TEXAS BIOMEDICAL RESEARCH INSTITUTE (US) 2018-10-18 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 (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-11571416-B2 Amodiaquine analogs and methods of uses thereof HAVCR2, SARS1, XPA POLB 1582/4885PKM 1954/4885SMN1; SMN2 2637/4885
US-20200113891-A1 NOVEL AMODIAQUINE ANALOGS AND METHODS OF USES THEREOF HAVCR2, SARS1, XPA POLB 1508/4885PKM 2238/4885SMN1; SMN2 3209/4885

“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.