SCHEMBL19010907

SCHEMBL19010907

CCc1ccc(-c2nnc(-c3ncccn3)nn2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TP53 P04637 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
ADRB2 P07550 1/20 0.34
METAP2 P50579 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
F2 P00734 1/20 0.34
F12 P00748 1/20 0.34

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
SCHEMBL19010905 0.88 TP53 (0.60) NPC1RAB9ASMN1; SMN2TP53L3MBTL1
SCHEMBL19543318 0.82 NPC1 (0.49) NPC1RAB9ASMN1; SMN2TP53L3MBTL1
SCHEMBL19010910 0.80 RAB9A (0.62) NPC1RAB9ASMN1; SMN2TP53L3MBTL1
SCHEMBL31280939 0.77 RAB9A (0.56) NPC1RAB9ASMN1; SMN2TP53L3MBTL1
SCHEMBL7563886 0.77 RAB9A (0.56) NPC1RAB9ASMN1; SMN2TP53L3MBTL1
SCHEMBL19010904 0.77 ADRB2 (0.50) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL149306 0.77 KDM4E (0.54) NPC1RAB9ASMN1; SMN2TP53L3MBTL1
SCHEMBL19010926 0.76 NPC1 (0.70) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL20390788 0.73 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53L3MBTL1
SCHEMBL19010901 0.71 TP53 (0.60) NPC1RAB9ASMN1; SMN2TP53L3MBTL1

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-20180135121-A1 PORE-FORMING PROTEIN CONJUGATE COMPOSITIONS AND METHODS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-05-17 US disclosed
US-9890426-B2 Pore-forming protein conjugate compositions and methods THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-02-13 US disclosed
US-20170175183-A1 PORE-FORMING PROTEIN CONJUGATE COMPOSITIONS AND METHODS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-06-22 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-20170175183-A1 PORE-FORMING PROTEIN CONJUGATE COMPOSITIONS AND METHODS TIAL1, NUP93, PORCN NPC1 352/4885RAB9A 525/4885SMN1; SMN2 4764/4885
US-20180135121-A1 PORE-FORMING PROTEIN CONJUGATE COMPOSITIONS AND METHODS TIAL1, NUP93, PORCN NPC1 351/4885RAB9A 540/4885SMN1; SMN2 4763/4885

“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.