SCHEMBL7130956

SCHEMBL7130956

Cc1ccc(NC2CCC(N)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA14 Q9ULX7 1/20 0.42
POLB P06746 4/20 0.41
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM1A O60341 2/20 0.38
EPHX1 P07099 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL171236 0.89 POLB (0.47) CA12CA1CA2CA4CA5A
SCHEMBL22399062 0.82 POLB (0.42) CA12CA1CA2CA4CA5A
SCHEMBL7793281 0.82 POLB (0.42) CA12CA1CA2CA4CA5A
SCHEMBL20684088 0.82 POLB (0.42) POLBRAB9AMAPTCYP1A2CYP3A4
SCHEMBL2478210 0.81 RAB9A (0.56) POLBRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL7794525 0.81 RAB9A (0.51) CA12CA1CA2CA4CA5A
SCHEMBL25039328 0.80 CDK1 (0.43) POLBRAB9ANPC1MAPTKDM1A
SCHEMBL7793309 0.80 POLB (0.58) POLBKDM1ASMYD3IRAK4
SCHEMBL25041451 0.80 KDM1A (0.51) POLBRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL25039269 0.80 KDM4E (0.42) MAPTKDM1ALMNAGAASMYD3

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-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-31 US disclosed
EP-4384493-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd (KY) 2024-06-19 EP disclosed
WO-2023016447-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-02-16 WO disclosed
WO-2023016447-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-02-16 WO disclosed
US-6504060-B1 Hydrogenation of diaminodiphenylmethane in presence of pulverulent catalyst in continuously operated suspension reactor at conversion of MDA of 95%; proportion of trans,trans-4,4'-diaminodicyclohexylmethane of from 17 to 24% BAYER AKTIENGESELLSCHAFT (DE) 2003-01-07 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-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 CA12 3620/4885CA1 3220/4885CA2 2405/4885

“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.