SCHEMBL3165803

SCHEMBL3165803

CC1CCCC(C)N1N=Cc1ccc(C=NN2C(C)CCCC2C)cc1

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.83
GAA P10253 4/20 0.83
ALDH1A1 P00352 7/20 0.78
MEN1 O00255 3/20 0.71
NSD2 O96028 1/20 0.71
POLB P06746 1/20 0.71
KDM4E B2RXH2 3/20 0.68
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
ATM Q13315 1/20 0.58
GFER P55789 2/20 0.58
MAPT P10636 2/20 0.49
HTT P42858 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL3174973 0.93 KMT2A (0.73) KMT2AGAAALDH1A1MEN1NSD2
SCHEMBL3174969 0.93 KMT2A (0.73) KMT2AGAAALDH1A1MEN1NSD2
SCHEMBL18686969 0.83 KMT2A (0.61) KMT2AGAAALDH1A1MEN1NSD2
SCHEMBL17304291 0.83 KMT2A (0.61) KMT2AGAAALDH1A1MEN1NSD2
SCHEMBL3165809 0.81 KMT2A (0.79) KMT2AGAAALDH1A1MEN1NSD2
SCHEMBL3181773 0.76 KMT2A (0.52) KMT2AGAAALDH1A1MEN1NSD2
SCHEMBL3175319 0.74 CXCR4 (0.55) KMT2AGAAALDH1A1MEN1NSD2
SCHEMBL18716022 0.71 NPC1 (0.49) KMT2AGAAALDH1A1MEN1NSD2
SCHEMBL7266585 0.66 KMT2A (0.43) KMT2AGAAALDH1A1MEN1NSD2
SCHEMBL8636091 0.65 ALDH1A1 (0.50) KMT2AGAAALDH1A1MEN1NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022769-A1 NOVEL POLYNITROGENATED SYSTEMS AS ANTI-HIV AGENTS INSTITUT QUIMIC DE SARRIA CETS (ES) 2010-01-28 US claimed
EP-2100890-A1 NOVEL POLYNITROGENATED SYSTEMS AS ANTI-HIV AGENTS Institut Quimic De Sarria Cets (ES) 2009-09-16 EP claimed
US-20100022769-A1 NOVEL POLYNITROGENATED SYSTEMS AS ANTI-HIV AGENTS INSTITUT QUIMIC DE SARRIA CETS (ES) 2010-01-28 US disclosed
EP-2100890-A1 NOVEL POLYNITROGENATED SYSTEMS AS ANTI-HIV AGENTS Institut Quimic De Sarria Cets (ES) 2009-09-16 EP 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-20100022769-A1 NOVEL POLYNITROGENATED SYSTEMS AS ANTI-HIV AGENTS MSR1, CCR5, CD4 KMT2A 2638/4885GAA 4133/4885ALDH1A1 4473/4885

“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.