SCHEMBL23745704

SCHEMBL23745704

O=C(CC(c1ccc(C(F)(F)F)cc1)c1cn(Cc2ccccc2)c2ccccc12)NCCN1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CCR2 P41597 5/20 0.44
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FAAH O00519 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41

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 SCHEMBL23721986 0.99 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2CYP1A2CYP3A4GAA
SCHEMBL23745491 0.84 CACNB4 (0.47) ALDH1A1CYP3A4CYP2D6MAPTCYP2C19
Hydrochloric Acid SCHEMBL23721875 0.84 CACNA1G (0.46) ALDH1A1MAPTPOLBL3MBTL1KMT2A
SCHEMBL23721942 0.83 CACNA1G (0.46) ALDH1A1SMN1; SMN2GAAMAPTUSP2
SCHEMBL23745653 0.83 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2MAPTUSP2POLB
Hydrochloric Acid SCHEMBL23722141 0.82 CACNA1G (0.45) ALDH1A1SMN1; SMN2GAAMAPTUSP2
Hydrochloric Acid SCHEMBL23721925 0.82 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2MAPTUSP2POLB
SCHEMBL23745645 0.82 ACHE (0.47) ALDH1A1SMN1; SMN2CYP2D6USP2POLB
SCHEMBL23516678 0.82 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2USP2POLBHSD17B10
SCHEMBL23745498 0.81 MTNR1A (0.45) ALDH1A1CYP2D6MAPTUSP2POLB

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 1197/4885SMN1; SMN2 4414/4885CYP1A2 331/4885

“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.