SCHEMBL21715596

SCHEMBL21715596

Cc1ccccc1/C=N/Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA12 O43570 2/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
PTPRF P10586 1/20 0.40

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
SCHEMBL21715551 0.83 MAPT (0.46) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL8870004 0.80 MAPT (0.57) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL13133350 0.80 MAPT (0.57) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL21715597 0.79 CA2 (0.59) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL13133355 0.76 BCHE (0.56) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL17737208 0.75 CYP19A1 (0.46) MAPTLMNASMN1; SMN2CA12CA2
SCHEMBL21715552 0.72 MAOA (0.51) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL7822579 0.72 LOXL2 (0.59) LMNACRHBPCRHR2CYP1A2CYP2C19
SCHEMBL21715569 0.71 ALDH1A1 (0.55) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL9826818 0.71 CYP19A1 (0.54) MAPTRAB9ANPC1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10836761-B2 Cinchonine-derived catalysts and methods of using same BRANDEIS UNIVERSITY (US) 2020-11-17 US disclosed
US-20200048243-A1 CINCHONINE-DERIVED CATALYSTS AND METHODS OF USING SAME BRANDEIS UNIVERSITY (US) 2020-02-13 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-10836761-B2 Cinchonine-derived catalysts and methods of using same MCM2, MCM7, MCM5 MAPT 4031/4885LMNA 243/4885RAB9A 3622/4885
US-20200048243-A1 CINCHONINE-DERIVED CATALYSTS AND METHODS OF USING SAME MCM2, MCM7, MCM5 MAPT 4031/4885LMNA 243/4885RAB9A 3622/4885

“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.