SCHEMBL7957415

SCHEMBL7957415

O=S1(=O)N=C(NCCc2ccccn2)Nc2cc(Cl)c(Cl)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.43
CYP1A2 P05177 2/20 0.42
CNR1 P21554 1/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 4/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
NPC1 O15118 2/20 0.38
TAAR1 Q96RJ0 2/20 0.37
ALOX15 P16050 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
F2 P00734 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
THRB P10828 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
SCHEMBL7954628 0.91 PKM (0.48) PKMCYP1A2CNR1RAB9ASMN1; SMN2
SCHEMBL7954366 0.89 PKM (0.48) PKMCYP1A2CNR1RAB9ASMN1; SMN2
SCHEMBL7956773 0.89 KMT2A (0.44) CYP1A2RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL7952935 0.87 CYP1A2 (0.42) PKMCYP1A2CNR1RAB9ASMN1; SMN2
SCHEMBL7954643 0.83 TAAR1 (0.45) CYP1A2RAB9AALDH1A1HTTLMNA
SCHEMBL7953143 0.83 CYP1A2 (0.41) PKMCYP1A2CNR1RAB9AALDH1A1
SCHEMBL7952149 0.83 PKM (0.42) PKMCYP1A2CNR1RAB9ASMN1; SMN2
SCHEMBL7954378 0.81 SMN1; SMN2 (0.40) PKMCYP1A2SMN1; SMN2ALDH1A1HTT
SCHEMBL7950947 0.80 ALDH1A1 (0.49) CYP1A2RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL7944001 0.79 HDAC8 (0.41) PKMRAB9ASMN1; SMN2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11505572-B2 Therapeutics for the treatment of glaucoma MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2022-11-22 US disclosed
US-10981951-B2 Therapeutics for the treatment of glaucoma MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2021-04-20 US disclosed
US-20210040148-A1 THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2021-02-11 US disclosed
US-20170002040-A1 NOVEL THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2017-01-05 US disclosed
US-6242443-B1 1,2,4-benzothiadiazine derivatives, their preparation and use NOVO NORDISK AIS (DK) 2001-06-05 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 (4 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-20210040148-A1 THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA KCNJ1, KCNJ2, KCNJ11 PKM 166/4885CYP1A2 2573/4885CNR1 865/4885
US-20170002040-A1 NOVEL THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA KCNJ1, KCNK4, KCNK2 PKM 204/4885CYP1A2 3097/4885CNR1 815/4885
US-11505572-B2 Therapeutics for the treatment of glaucoma KCNJ1, KCNJ2, KCNJ11 PKM 166/4885CYP1A2 2573/4885CNR1 865/4885
US-10981951-B2 Therapeutics for the treatment of glaucoma KCNJ1, KCNJ2, KCNJ11 PKM 166/4885CYP1A2 2573/4885CNR1 865/4885

“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.