SCHEMBL10047883

SCHEMBL10047883

O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC1=S

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
POLB P06746 2/20 0.51
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PGR P06401 3/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA12 O43570 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL8440899 0.85 KMT2A (0.58) ALDH1A1KMT2AMEN1POLBTDP1
SCHEMBL8538882 0.81 SMN1; SMN2 (0.58) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL8545715 0.79 SMN1; SMN2 (0.60) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL7352388 0.79 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1POLBTDP1
SCHEMBL6968459 0.79 BCHE (0.56) ALDH1A1KMT2AMEN1POLBTDP1
SCHEMBL10047882 0.78 AVPR2 (0.56) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL6990464 0.77 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1POLBTDP1
SCHEMBL10047949 0.77 KMT2A (0.65) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL7352881 0.76 MEN1 (0.55) ALDH1A1KMT2AMEN1POLBTDP1
SCHEMBL4724436 0.76 KMT2A (0.75) ALDH1A1KMT2AMEN1POLBMAPT

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-8168647-B2 Vinblastine derivatives, their preparation, use and pharmaceutical compositions comprising the said derivatives SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) 2012-05-01 US disclosed
US-20100113498-A1 NOVEL VINBLASTINE DERIVATIVES, THEIR PREPARATION, USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAID DERIVATIVES SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2010-05-06 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-20100113498-A1 NOVEL VINBLASTINE DERIVATIVES, THEIR PREPARATION, USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAID DERIVATIVES MCL1, BAX, BAD ALDH1A1 840/4885KMT2A 673/4885MEN1 493/4885

“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.