SCHEMBL19420177

SCHEMBL19420177

S=C(NCCc1ccncc1)Nc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.79
NPC1 O15118 2/20 0.79
MAOA P21397 1/20 0.79
MAOB P27338 1/20 0.79
CA9 Q16790 2/20 0.72
BCL6 P41182 1/20 0.72
MAPT P10636 4/20 0.70
ALDH1A1 P00352 4/20 0.70
KMT2A Q03164 3/20 0.70
LMNA P02545 3/20 0.70
MEN1 O00255 2/20 0.70
GAA P10253 1/20 0.70
MAPK1 P28482 1/20 0.70
SMN1; SMN2 Q16637 3/20 0.64
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
THRB P10828 1/20 0.60
LSS P48449 1/20 0.59
ALOX12 P18054 1/20 0.58

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
SCHEMBL6959672 0.94 RAB9A (0.79) RAB9ANPC1MAOAMAOBCA9
SCHEMBL1520437 0.89 RAB9A (1.00) RAB9ANPC1MAOAMAOBCA9
SCHEMBL6297654 0.84 CA9 (1.00) MAOAMAOBCA9MAPTALDH1A1
SCHEMBL7904143 0.82 KMT2A (0.71) RAB9ANPC1MAOAMAOBCA9
SCHEMBL7901763 0.82 KMT2A (0.71) RAB9ANPC1MAOAMAOBCA9
SCHEMBL11615935 0.81 ROCK2 (0.79) RAB9ANPC1CA9MAPTKMT2A
SCHEMBL22289694 0.81 RAB9A (0.79) RAB9ANPC1MAOAMAOBCA9
SCHEMBL7596706 0.80 ALDH1A1 (0.70) RAB9ANPC1MAOAMAOBCA9
SCHEMBL8615629 0.79 RAB9A (0.81) RAB9ANPC1MAOAMAOBCA9
SCHEMBL8956279 0.79 KMT2A (0.78) RAB9ANPC1MAOAMAOBMAPT

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-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease UNITY BIOTECHNOLOGY, INC. (US) 2019-02-05 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 RAB9A 1412/4885NPC1 715/4885MAOA 2669/4885
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease TP53, CDKN1A, GLA RAB9A 831/4885NPC1 958/4885MAOA 1995/4885

“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.