SCHEMBL22324871

SCHEMBL22324871

O=C1CCCN1c1ccc(C2CCN(c3ccn[nH]3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
TSHR P16473 3/20 0.48
RAB9A P51151 3/20 0.48
LMNA P02545 1/20 0.48
STAT3 P40763 1/20 0.48
ALDH1A1 P00352 2/20 0.41
KDM4A O75164 1/20 0.40
KDM4B O94953 1/20 0.40
KDM5C P41229 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
AKR1C3 P42330 7/20 0.39
HPGD P15428 3/20 0.39
NPC1 O15118 3/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
CCNA2 P20248 3/20 0.38
CDK2 P24941 3/20 0.38
CCNA1 P78396 3/20 0.38
CCNB2 O95067 1/20 0.38
CCNE2 O96020 1/20 0.38

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
SCHEMBL22324924 0.81 L3MBTL1 (0.43) HRH3
SCHEMBL22324890 0.79 SMN1; SMN2 (0.48) SMN1; SMN2TSHRRAB9ALMNASTAT3
Hydrochloric Acid SCHEMBL22325037 0.78 SMN1; SMN2 (0.47) SMN1; SMN2TSHRRAB9ALMNASTAT3
SCHEMBL22324808 0.76 RAB9A (0.48) SMN1; SMN2TSHRRAB9ALMNASTAT3
SCHEMBL7674995 0.75 SMN1; SMN2 (0.54) SMN1; SMN2TSHRRAB9ALMNASTAT3
SCHEMBL22817006 0.75 SMN1; SMN2 (0.57) SMN1; SMN2TSHRRAB9ALMNASTAT3
SCHEMBL22340239 0.75 ALDH1A1 (0.44) SMN1; SMN2RAB9ALMNAALDH1A1
SCHEMBL22325007 0.75 DRD2 (0.45) RAB9ANPC1TP53
SCHEMBL22325008 0.75 ALDH1A1 (0.44) SMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL22324979 0.75 DHFR (0.43) SMN1; SMN2TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479816-B2 20-HETE formation inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2025-11-25 US disclosed
US-20220144797-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-05-12 US disclosed
US-20220144797-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-05-12 US disclosed
WO-2020163689-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-08-13 WO disclosed
WO-2020163689-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-08-13 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-20220144797-A1 20-HETE FORMATION INHIBITORS CYP4A22, ALOX5, ALOX15 SMN1; SMN2 2585/4885TSHR 4452/4885RAB9A 3172/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 SMN1; SMN2 2585/4885TSHR 4452/4885RAB9A 3172/4885

“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.