SCHEMBL6804590

SCHEMBL6804590

NC(=S)NCCOc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.59
MTNR1B P49286 1/20 0.59
SMN1; SMN2 Q16637 5/20 0.57
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
HPGD P15428 2/20 0.57
RECQL P46063 2/20 0.54
DRD4 P21917 3/20 0.53
HTR1B P28222 2/20 0.53
DRD2 P14416 2/20 0.53
DRD3 P35462 2/20 0.53
HTR1D P28221 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PKM P14618 1/20 0.49
EPHX2 P34913 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KCNA3 P22001 1/20 0.48
TSHR P16473 1/20 0.48
XBP1 P17861 1/20 0.48

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
Pyridine SCHEMBL3387863 0.91 MTNR1A (0.50) MTNR1AMTNR1BSMN1; SMN2RAB9ANPC1
SCHEMBL3363396 0.85 MTNR1A (0.62) MTNR1AMTNR1BSMN1; SMN2RAB9ANPC1
SCHEMBL8768565 0.82 TAAR1 (0.56) SMN1; SMN2RAB9ANPC1DRD4DRD2
SCHEMBL1053081 0.81 MTNR1A (0.69) MTNR1AMTNR1BSMN1; SMN2RAB9ANPC1
SCHEMBL10310294 0.81 MTNR1A (0.59) MTNR1AMTNR1BSMN1; SMN2RAB9ANPC1
SCHEMBL27771374 0.81 ALDH1A1 (0.42) MTNR1AMTNR1BSMN1; SMN2RAB9ANPC1
SCHEMBL10459746 0.80 MTNR1A (0.62) MTNR1AMTNR1BSMN1; SMN2RAB9ANPC1
Hydrochloric Acid SCHEMBL8207466 0.80 MTNR1A (0.57) MTNR1AMTNR1BSMN1; SMN2RAB9ANPC1
SCHEMBL4576541 0.79 MTNR1A (0.65) MTNR1AMTNR1BSMN1; SMN2RAB9ANPC1
SCHEMBL11305595 0.79 MTNR1A (0.56) MTNR1AMTNR1BSMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107629022-B Antibacterial synergist and preparation method and application thereof 上海医药工业研究院 2024-11-12 CN disclosed
US-6689793-B2 INHIBITORS OF NON-NUCLEOSIDE REVERSE TRANSCRIPTASE AND MULTI-DRUG RESISTANT HUMAN IMMUNODEFICIENCY VIRUS REVERSE TRANSCRIPTASE PARKER HUGHES INSTITUTE 2004-02-10 US disclosed
US-20020151568-A1 Piperidinylethyl-, phenoxyethyl-, and beta-fluorophenethyl-substituted thiourea compounds with potent anti-HIV activity PARKER HUGHES INSTITUTE 2002-10-17 US disclosed
US-4891069-A CATALYST FOR REDUCTION OF METAL COMPOUND BY GENERATED HYDROGEN TECHNO INSTRUMENTS INVESTMENTS 1983 LTD. (IL) 1990-01-02 US disclosed
US-4790912-A ELECTROLYTICALLY-GENERATED HYDROGEN AND CATALYST CONVERT METAL SALT IN BATH TO METAL TECHNO-INSTRUMENTS INVESTMENTS LTD. (IL) 1988-12-13 US disclosed
US-4749449-A PLATING ON CATALYZED THROUGH HOLE WALL IN PATTERENED CONDUCTIVE AND INSULATING LAYERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-06-07 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-20020151568-A1 Piperidinylethyl-, phenoxyethyl-, and beta-fluorophenethyl-substituted thiourea compounds with potent anti-HIV activity SAMHD1, PNP, NUDT1 MTNR1A 3987/4885MTNR1B 4122/4885SMN1; SMN2 3373/4885

“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.