SCHEMBL19257973

SCHEMBL19257973

Nc1ccc(C[C@H](N)c2nccs2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.46
FBP1 P09467 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2C9 P11712 1/20 0.39
EDNRA P25101 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.38
TSHR P16473 2/20 0.36
NOS1 P29475 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36

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
Hydrochloric Acid SCHEMBL19209193 0.98 RAD52 (0.45) RAD52FBP1ALDH1A1LMNATDP1
Hydrochloric Acid SCHEMBL20586638 0.98 RAD52 (0.45) RAD52FBP1ALDH1A1LMNATDP1
SCHEMBL20177203 0.85 KDM4E (0.40) RAD52FBP1ALDH1A1LMNAKDM4E
SCHEMBL8143963 0.85 EPHX1 (0.44) SLC6A4PTPRB
SCHEMBL6685124 0.85 EPHX1 (0.44) SLC6A4PTPRB
SCHEMBL4379883 0.85 EPHX1 (0.44) SLC6A4PTPRB
Hydrochloric Acid SCHEMBL22691671 0.83 EPHX1 (0.42) ALDH1A1CYP2C9SLC6A4CYP2C19L3MBTL1
Hydrochloric Acid SCHEMBL22691669 0.83 EPHX1 (0.42) ALDH1A1CYP2C9SLC6A4CYP2C19L3MBTL1
SCHEMBL2808151 0.83 PDPK1 (0.46) ALDH1A1KDM4ELOXL2SMN1; SMN2CYP19A1
SCHEMBL9048065 0.79 TAAR1 (0.38) RAD52ALDH1A1SLC6A4LOXL2TSHR

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-10723727-B2 Tubulysin analogs and methods for their preparation PFIZER INC. (US) 2020-07-28 US disclosed
WO-2017134547-A1 TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION PFIZER INC. (US) 2017-08-10 WO 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-10723727-B2 Tubulysin analogs and methods for their preparation NGLY1, TEK, TEKT1 RAD52 4187/4885FBP1 3045/4885ALDH1A1 4715/4885

“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.