SCHEMBL24969772

SCHEMBL24969772

COc1nc2ccccc2nc1N1CCNCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
HTR6 P50406 2/20 0.50
TSHR P16473 2/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
HTR3A P46098 2/20 0.49
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
ADRB1 P08588 1/20 0.47
DRD2 P14416 1/20 0.47
CYP2C19 P33261 1/20 0.47
DRD3 P35462 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL30223071 1.00 HRH4 (0.70) HRH4MEN1KMT2AHTR6TSHR
SCHEMBL13757372 0.84 HRH4 (0.74) HRH4MEN1KMT2ATSHRTP53
SCHEMBL28610794 0.83 HSD17B10 (0.67) MEN1KMT2AHTR6TSHRCYP1A2
SCHEMBL29268327 0.83 HRH4 (1.00) HRH4MEN1KMT2AHTR3AHTR3B
SCHEMBL15958612 0.81 HRH4 (0.70) HRH4MEN1KMT2ATSHRCYP1A2
SCHEMBL31652347 0.79 CYP1A2 (0.72) HRH4HTR6TSHRCYP1A2CYP3A4
SCHEMBL4472647 0.79 CYP1A2 (0.72) HRH4HTR6TSHRCYP1A2CYP3A4
SCHEMBL15195527 0.78 MEN1 (0.47) HRH4MEN1KMT2AHTR6CYP1A2
SCHEMBL4573658 0.78 HTR6 (0.51) HTR6TSHRTP53CYP1A2CYP3A4
SCHEMBL4315093 0.77 TSHR (0.73) HRH4MEN1KMT2AHTR6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT PASTEUR DE LILLE (FR) 2024-10-03 US claimed
CN-118076585-A Gram negative bacteria efflux pump inhibitors 国家医疗保健研究所 2024-05-24 CN claimed
US-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT PASTEUR DE LILLE (FR) 2024-10-03 US disclosed
EP-4373808-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS Institut national de la santé et de la recherche médicale (INSERM) (FR) 2024-05-29 EP disclosed
CN-118076585-A Gram negative bacteria efflux pump inhibitors 国家医疗保健研究所 2024-05-24 CN disclosed
WO-2023002011-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-01-26 WO disclosed
WO-2023002011-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-01-26 WO 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-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ATP4B HRH4 3643/4885MEN1 3855/4885KMT2A 2400/4885

“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.