SCHEMBL17159778

SCHEMBL17159778

CCC(C(=O)O)n1nnnc1-c1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 6/20 0.46
CYP19A1 P11511 1/20 0.45
GAA P10253 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
LMNA P02545 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
ADORA1 P30542 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL17159807 0.71 HSD11B1 (0.59) HSD11B1SMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL6073754 0.70 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1GAALMNAKMT2A
SCHEMBL18839845 0.70 HCAR3 (0.40) SMN1; SMN2ALDH1A1GAALMNAKMT2A
SCHEMBL1647137 0.68 KCNN4 (0.42) HSD11B1SMN1; SMN2ALDH1A1KMT2ACYP2C9
SCHEMBL2288221 0.67 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1KMT2ANPC1RAB9A
SCHEMBL10057825 0.67 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1LMNAADORA1KMT2A
SCHEMBL25921188 0.67 SDCBP (0.44) SMN1; SMN2ALDH1A1AKR1C3AKR1C2NPC1
SCHEMBL25921249 0.67 SDCBP (0.44) SMN1; SMN2ALDH1A1AKR1C3AKR1C2NPC1
SCHEMBL1236135 0.66 TP53 (0.35) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL828870 0.66 HCAR3 (0.39) SMN1; SMN2ALDH1A1GAAAKR1C3AKR1C2

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-9206165-B2 Tetrazolo hydrazine derivatives and pharmaceutical composition comprising same as active ingredient for preventing or treating cancer INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YEUNGNAM UNIVERSITY (KR) 2015-12-08 US disclosed
US-20150291566-A1 NOVEL TETRAZOLO HYDRAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YEUNGNAM UNIVERSITY (KR) 2015-10-15 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 (1 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-20150291566-A1 NOVEL TETRAZOLO HYDRAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER API5, BAX, TP53 HSD11B1 2437/4885SMN1; SMN2 4624/4885ALDH1A1 2239/4885

“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.