SCHEMBL23745709

SCHEMBL23745709

O=C(CC(c1cccc(Cl)c1)c1cn(Cc2ccc(F)cc2)c2ccccc12)NCCN1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM1A O60341 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
CACNA1G O43497 2/20 0.40
CACNB4 O00305 1/20 0.40
CACNA1A O00555 1/20 0.40
CACNG3 O60359 1/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNB3 P54284 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
Hydrochloric Acid SCHEMBL23721896 0.99 ALDH1A1 (0.43) ALDH1A1LMNAKMT2AMEN1NPSR1
SCHEMBL23745491 0.87 CACNB4 (0.47) ALDH1A1LMNAKMT2ARXFP1KDM1A
Hydrochloric Acid SCHEMBL23721875 0.87 CACNA1G (0.46) ALDH1A1LMNAKMT2ARXFP1KDM1A
SCHEMBL23721942 0.85 CACNA1G (0.46) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL23722141 0.84 CACNA1G (0.45) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL23516678 0.83 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2POLB
SCHEMBL23745498 0.83 MTNR1A (0.45) ALDH1A1LMNAKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL23721926 0.82 MTNR1A (0.45) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL23745653 0.80 SMN1; SMN2 (0.45) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL23745704 0.80 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-08-12 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-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF FDPS, FPR1, F12 ALDH1A1 1197/4885LMNA 2573/4885KMT2A 4684/4885

“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.