SCHEMBL9969501

SCHEMBL9969501

CC(C)(C)CCc1ccc(-n2cnnn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.50
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
F2 P00734 1/20 0.50
HTT P42858 1/20 0.50
KCNJ1 P48048 4/20 0.49
KCNH2 Q12809 2/20 0.47
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL16232236 0.83 NOTUM (0.53) NOTUMMAPTALDH1A1LMNAF2
SCHEMBL16232235 0.81 NOTUM (0.55) NOTUMMAPTALDH1A1LMNAF2
SCHEMBL3062209 0.78 NOTUM (0.55) NOTUMMAPTALDH1A1LMNAF2
SCHEMBL16122212 0.78 MAPT (0.59) NOTUMMAPTALDH1A1LMNAF2
SCHEMBL2056394 0.78 NOTUM (0.58) NOTUMMAPTALDH1A1LMNAF2
SCHEMBL9969400 0.77 NOTUM (0.54) NOTUM
SCHEMBL12615985 0.76 NOTUM (0.78) NOTUMMAPTALDH1A1LMNAF2
SCHEMBL11768462 0.74 NOTUM (0.58) NOTUMMAPTALDH1A1LMNAF2
SCHEMBL2054614 0.74 NOTUM (0.58) NOTUMMAPTALDH1A1LMNAF2
SCHEMBL1449005 0.74 MAPT (0.63) NOTUMMAPTALDH1A1LMNAF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 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 (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-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 NOTUM 2701/4885MAPT 4552/4885ALDH1A1 2970/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC NOTUM 1965/4885MAPT 4336/4885ALDH1A1 3986/4885

“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.