SCHEMBL9926577

SCHEMBL9926577

Cc1cc(Cl)ccc1CC(=O)N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.59
AKR1C3 P42330 2/20 0.55
KMT2A Q03164 1/20 0.55
FKBP1A P62942 3/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 1/20 0.48
CCR3 P51677 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL9926576 0.86 HPGD (0.61) RAB9AKMT2AALDH1A1HPGDCCR3
SCHEMBL9926647 0.76 CCR3 (0.62) CCR3
SCHEMBL9926516 0.76 POLB (0.60) KMT2AALDH1A1
SCHEMBL24352145 0.76 KMT2A (0.72) RAB9AAKR1C3KMT2AFKBP1AALDH1A1
SCHEMBL11961573 0.75 KDM4E (0.53) RAB9AKMT2AFKBP1AKDM4EALDH1A1
SCHEMBL4243681 0.75 CYP2A13 (0.71) RAB9AKMT2AKDM4ETDP1
SCHEMBL9557026 0.74 NAAA (0.61) RAB9AAKR1C3KMT2AKDM4EALDH1A1
SCHEMBL4719668 0.74 MGLL (0.68) RAB9AAKR1C3KMT2AFKBP1AKDM4E
SCHEMBL20886966 0.72 KMT2A (0.58) RAB9AAKR1C3KMT2AFKBP1AKDM4E
SCHEMBL13342919 0.72 RAB9A (0.62) RAB9AAKR1C3KDM4EALDH1A1HPGD

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-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2012-06-14 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-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS MDM4, MDM2, TP53 RAB9A 3018/4885AKR1C3 2183/4885KMT2A 1512/4885

“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.