SCHEMBL19010902

SCHEMBL19010902

CCc1ccc(-c2nnc(-c3ccc(C(=O)O)cc3)nn2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.74
RAB9A P51151 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
NPC1 O15118 3/20 0.61
RXRA P19793 2/20 0.61
RXRB P28702 2/20 0.61
BCL2 P10415 1/20 0.56
RARB P10826 7/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
RARA P10276 1/20 0.51
MAPT P10636 1/20 0.51
MTOR P42345 1/20 0.51
TP53 P04637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CA12 O43570 1/20 0.47
ALPL P05186 1/20 0.47
CA9 Q16790 1/20 0.47
PLK1 P53350 1/20 0.47
NFKB1 P19838 1/20 0.47

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
SCHEMBL10243658 0.88 ALDH1A1 (0.87) ALDH1A1RAB9ASMN1; SMN2NPC1RXRA
SCHEMBL403155 0.88 ALDH1A1 (0.87) ALDH1A1RAB9ASMN1; SMN2NPC1RXRA
SCHEMBL1330795 0.86 ALDH1A1 (1.00) ALDH1A1RAB9ASMN1; SMN2NPC1RXRA
SCHEMBL19901 0.86 ALDH1A1 (1.00) ALDH1A1RAB9ASMN1; SMN2NPC1RXRA
SCHEMBL1330335 0.86 ALDH1A1 (1.00) ALDH1A1RAB9ASMN1; SMN2NPC1RXRA
SCHEMBL19010906 0.85 RAB9A (0.54) ALDH1A1RAB9ASMN1; SMN2NPC1RXRA
SCHEMBL19010919 0.85 RAB9A (0.65) ALDH1A1RAB9ASMN1; SMN2NPC1RXRA
SCHEMBL6913296 0.84 ALDH1A1 (0.95) ALDH1A1RAB9ASMN1; SMN2NPC1RXRA
SCHEMBL6909050 0.84 ALDH1A1 (0.95) ALDH1A1RAB9ASMN1; SMN2NPC1RXRA
SCHEMBL2590166 0.84 ALDH1A1 (0.95) ALDH1A1RAB9ASMN1; SMN2NPC1RXRA

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 ALDH1A1 4877/4885RAB9A 525/4885SMN1; SMN2 4764/4885
US-20180135121-A1 PORE-FORMING PROTEIN CONJUGATE COMPOSITIONS AND METHODS TIAL1, NUP93, PORCN ALDH1A1 4876/4885RAB9A 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.