SCHEMBL20177203

SCHEMBL20177203

Cc1ccc(C[C@H](N)c2nccs2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
SLC6A3 Q01959 1/20 0.38
FBP1 P09467 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PKM P14618 2/20 0.35
RECQL P46063 1/20 0.35
CTSA P10619 1/20 0.35
CYP2D6 P10635 2/20 0.35
HRH1 P35367 1/20 0.35
KCNH2 Q12809 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MGAM O43451 2/20 0.35
GAA P10253 2/20 0.35
SI P14410 2/20 0.35
MGAM2 Q2M2H8 2/20 0.35
LMNA P02545 1/20 0.35
XBP1 P17861 1/20 0.35
ADRB2 P07550 1/20 0.34

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
SCHEMBL19257973 0.85 RAD52 (0.46) KDM4EFBP1LOXL2NPC1RAB9A
Hydrochloric Acid SCHEMBL19209193 0.84 RAD52 (0.45) KDM4EFBP1LOXL2NPC1RAB9A
Hydrochloric Acid SCHEMBL20586638 0.84 RAD52 (0.45) KDM4EFBP1LOXL2NPC1RAB9A
SCHEMBL8143963 0.83 EPHX1 (0.44) SLC6A3PKMCTSACYP2D6PTPRB
SCHEMBL4379883 0.83 EPHX1 (0.44) SLC6A3PKMCTSACYP2D6PTPRB
SCHEMBL6685124 0.83 EPHX1 (0.44) SLC6A3PKMCTSACYP2D6PTPRB
Hydrochloric Acid SCHEMBL22691669 0.82 EPHX1 (0.42) SLC6A3PKMCTSACYP2D6SMN1; SMN2
Hydrochloric Acid SCHEMBL22691671 0.82 EPHX1 (0.42) SLC6A3PKMCTSACYP2D6SMN1; SMN2
SCHEMBL25739551 0.82 CTSA (0.45) RECQLCTSACYP2D6CYP2C19
SCHEMBL2808151 0.81 PDPK1 (0.46) KDM4ELOXL2CTSASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210107868-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2021-04-15 US disclosed
US-10967068-B2 Stability-modulating linkers for use with antibody drug conjugates PFIZER INC. (US) 2021-04-06 US disclosed
US-20180140714-A1 STABILITY-MODULATING LINKERS FOR USE WITH ANTIBODY DRUG CONJUGATES PFIZER INC. (US) 2018-05-24 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 (3 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-10967068-B2 Stability-modulating linkers for use with antibody drug conjugates FCGR2A, FCGRT, FCGR1A KDM4E 1183/4885SLC6A3 2732/4885FBP1 2540/4885
US-20210107868-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS NR1H4, HCAR3, VDR KDM4E 4420/4885SLC6A3 2293/4885FBP1 3031/4885
US-20180140714-A1 STABILITY-MODULATING LINKERS FOR USE WITH ANTIBODY DRUG CONJUGATES FCGR2A, FCGRT, FCGR1A KDM4E 1183/4885SLC6A3 2732/4885FBP1 2540/4885

“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.