SCHEMBL12845565

SCHEMBL12845565

COc1cccc(NC(N)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 3/20 0.50
▸ MTNR1A P48039 2/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ TP53 P04637 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ KCNH3 Q9ULD8 1/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ NLRP3 Q96P20 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ AOC3 Q16853 1/20 0.47
▸ IDO1 P14902 1/20 0.46

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
SCHEMBL631776 0.79 KCNH3 (0.64) MTNR1BMTNR1ATP53TSHRRXFP1
Hydrochloric Acid SCHEMBL2249099 0.78 KCNH3 (0.67) MTNR1BMTNR1ATP53TSHRRXFP1
SCHEMBL10444643 0.77 MEN1 (0.47) TP53TSHRRXFP1KMT2AMEN1
SCHEMBL29564854 0.77 SYK (0.59) MTNR1BMTNR1ASIGMAR1TP53TSHR
SCHEMBL28885886 0.76 KCNH3 (0.53) MTNR1BTP53TSHRRXFP1KMT2A
SCHEMBL10989610 0.76 KCNH3 (0.53) MTNR1BTP53TSHRRXFP1KMT2A
SCHEMBL17604272 0.76 MAPT (0.49) MTNR1BMTNR1ATP53TSHRRXFP1
SCHEMBL3432264 0.76 MTNR1B (0.56) MTNR1BMTNR1ATP53TSHRALDH1A1
Hydrochloric Acid SCHEMBL29564676 0.76 SYK (0.58) MTNR1BSIGMAR1TP53TSHRRXFP1
SCHEMBL5088995 0.75 KMT2A (0.49) MTNR1BTP53TSHRRXFP1KMT2A

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-20110059948-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS THE INSTITUTE OF MOLECULAR MEDICINE (IN) 2011-03-10 — — 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-20110059948-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS NQO1, NQO2, NDUFV1 MTNR1B 881/4885MTNR1A 921/4885SIGMAR1 904/4885

“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.

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