SCHEMBL26374397

SCHEMBL26374397

Cn1cc([N+](=O)[O-])cc1C(=O)NCCCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.41
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
PKM P14618 3/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
PTPN1 P18031 1/20 0.38
AR P10275 1/20 0.37
GLA P06280 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37

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
SCHEMBL14441803 0.93 POLB (0.45) POLBMAPTTMEM97SIGMAR1PKM
SCHEMBL26374814 0.92 HRAS (0.47) POLBMAPTTMEM97SIGMAR1KMT2A
SCHEMBL1844640 0.88 TMEM97 (0.46) POLBMAPTTMEM97SIGMAR1KMT2A
SCHEMBL26374322 0.87 HDAC1 (0.44) POLBMAPTTMEM97SIGMAR1LMNA
SCHEMBL14003290 0.85 ALDH1A1 (0.41) POLBMAPTPKMLMNAKMT2A
SCHEMBL1841982 0.84 POLB (0.55) POLBMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL1842400 0.84 KMT2A (0.58) POLBMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL27781639 0.83 POLB (0.38) POLBMAPTPKMLMNAALDH1A1
SCHEMBL26643295 0.82 MAPT (0.36) POLBMAPTPKMLMNAKMT2A
SCHEMBL1844965 0.81 HDAC1 (0.51) POLBMAPTTMEM97SIGMAR1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310640-A1 PYRROLOBENZODIAZEPINE DERIVATIVE AND LIGAND-LINKER CONJUGATE THEREOF LEGOCHEM BIOSCIENCES, INC. (KR) 2023-10-05 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-20230310640-A1 PYRROLOBENZODIAZEPINE DERIVATIVE AND LIGAND-LINKER CONJUGATE THEREOF BCR, PDCD1LG2, PRLHR POLB 2176/4885MAPT 1994/4885TMEM97 2319/4885

“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.