SCHEMBL14980583

SCHEMBL14980583

CCN(CC)CCNc1cc(C)ccn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 2/20 0.48
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KARS1 Q15046 3/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
CCR4 P51679 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL29387993 1.00 NOS2 (0.50) NOS2KMT2AMEN1POLBKDM4E
SCHEMBL16491444 0.86 NOS2 (0.49) NOS2KMT2AMEN1POLBKDM4E
SCHEMBL12698 0.83 CYP2C19 (0.60) NOS2KMT2AMEN1POLBLMNA
SCHEMBL3597615 0.83 LMNA (0.46) KMT2AMEN1KDM4ELMNAHTT
SCHEMBL19606436 0.81 NOS2 (0.48) NOS2KMT2AMEN1POLBKDM4E
SCHEMBL11961829 0.81 NOS2 (0.57) NOS2KMT2AMEN1POLBKDM4E
Hydrochloric Acid SCHEMBL7622407 0.80 NOS2 (0.56) NOS2KMT2AMEN1POLBKDM4E
SCHEMBL11446324 0.79 NOS2 (0.49) NOS2KMT2AMEN1POLBKDM4E
SCHEMBL827847 0.77 NOS2 (0.61) NOS2KMT2AMEN1POLBKDM4E
SCHEMBL21139958 0.77 SMN1; SMN2 (0.45) NOS2KMT2AMEN1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394253-B2 Kinase protein binding inhibitors HEALTH RESEARCH, INC. (US) 2016-07-19 US disclosed
US-20150051245-A1 KINASE PROTEIN BINDING INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-19 US disclosed
WO-2013074517-A1 KINASE PROTEIN BINDING INHIBITORS ROSWELL PARK CANCER INSTITUTE (US) 2013-05-23 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 (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-20150051245-A1 KINASE PROTEIN BINDING INHIBITORS PACSIN2, PRKCH, CKS1B NOS2 3608/4885KMT2A 1926/4885MEN1 3507/4885

“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.