SCHEMBL17894476

SCHEMBL17894476

N=C(N)NCc1ccc(OCc2cccc(Cl)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.63
GID4 Q8IVV7 1/20 0.62
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
RXRG P48443 1/20 0.54
MAOA P21397 1/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
ALOX12 P18054 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
F2 P00734 2/20 0.52
ALOX5 P09917 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
DHFR P00374 1/20 0.50

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
Trifluoroacetic Acid SCHEMBL17894475 0.90 GID4 (0.61) MAOBGID4RXRARXRBRXRG
SCHEMBL17894461 0.90 NPC1 (0.55) MAOBGID4MAOANPC1RAB9A
SCHEMBL17894482 0.85 MAOB (0.57) MAOBMAOANPC1RAB9AF2
SCHEMBL17894442 0.84 MAOB (0.48) MAOBGID4MAOAF2CYP2D6
SCHEMBL17894552 0.83 BCHE (0.63) MAOBMAOARAB9ASMN1; SMN2F2
SCHEMBL8935243 0.83 GID4 (0.74) MAOBGID4RXRARXRBRXRG
SCHEMBL13134026 0.83 HTR3E (0.61) NPC1RAB9AALOX12
SCHEMBL17894553 0.83 MAOB (0.61) MAOBRXRARXRBRXRGMAOA
Hydrochloric Acid SCHEMBL8935260 0.82 GID4 (0.73) MAOBGID4RXRARXRBRXRG
Hydrochloric Acid SCHEMBL8202366 0.82 MRGPRX1 (0.61) MAOBF2CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS THE UNIVERSITY OF BATH (GB) 2017-11-30 US claimed
EP-3240775-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS Swansea University (GB) 2017-11-08 EP claimed
WO-2016108045-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS SWANSEA UNIVERSITY (GB) 2016-07-07 WO claimed
US-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS THE UNIVERSITY OF BATH (GB) 2017-11-30 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-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS ZYX, MPO, CFB MAOB 56/4885GID4 3349/4885RXRA 2537/4885

“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.