SCHEMBL24322776

SCHEMBL24322776

O=C(CN1CCCNCC1)Nc1ccccc1F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.70
KDM4E B2RXH2 1/20 0.70
TSHR P16473 2/20 0.62
HSD17B10 Q99714 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.57
CHRNB2 P17787 3/20 0.57
CHRNB4 P30926 3/20 0.57
CHRNA3 P32297 3/20 0.57
CHRNA4 P43681 3/20 0.57
POLB P06746 3/20 0.56
CYP3A4 P08684 1/20 0.56
GAA P10253 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
PKM P14618 1/20 0.55
MAPT P10636 1/20 0.55
GFER P55789 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPK1 P28482 1/20 0.55

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
SCHEMBL24322526 0.82 ALDH1A1 (0.74) ALDH1A1TSHRL3MBTL1CYP3A4GAA
SCHEMBL24323801 0.78 POLB (0.61) ALDH1A1KDM4ETSHRPOLBCYP3A4
SCHEMBL10914817 0.77 ALDH1A1 (0.71) ALDH1A1KDM4EKMT2AHPGD
SCHEMBL1442840 0.77 POLB (0.55) ALDH1A1KDM4ETSHRHSD17B10POLB
Hydrochloric Acid SCHEMBL10911639 0.76 ALDH1A1 (0.70) ALDH1A1KDM4EKMT2AHPGD
SCHEMBL7288865 0.75 KMT2A (0.73) ALDH1A1KDM4ETSHRPOLBGAA
SCHEMBL1646834 0.75 ALDH1A1 (0.76) ALDH1A1TSHRL3MBTL1POLBCYP3A4
SCHEMBL793647 0.75 ALDH1A1 (0.68) ALDH1A1KDM4ECHRNB2CHRNB4CHRNA3
SCHEMBL2561097 0.74 ALDH1A1 (0.63) ALDH1A1KDM4ETSHRHSD17B10L3MBTL1
SCHEMBL10914678 0.74 ALDH1A1 (0.72) ALDH1A1KDM4ETSHRHSD17B10SMN1; SMN2

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-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof Psomagen Inc. (US) 2022-04-21 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-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof HTRA1, GIPR, HPN ALDH1A1 4556/4885KDM4E 4426/4885TSHR 1902/4885

“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.