SCHEMBL18409334

SCHEMBL18409334

Clc1ccccc1-c1nc(Cc2c[nH]c3ccccc23)oc1-c1ccccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 3/20 0.61
▸ ALDH1A1 P00352 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ AHR P35869 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ PTPN1 P18031 7/20 0.46
▸ NR4A2 P43354 4/20 0.44
▸ RXRA P19793 2/20 0.42
▸ RXRB P28702 2/20 0.42
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL18409576 0.84 ALDH1A1 (0.49) GPR84ALDH1A1RAB9AMEN1KMT2A
SCHEMBL18409578 0.83 ALDH1A1 (0.48) GPR84ALDH1A1RAB9AMEN1KMT2A
SCHEMBL18409573 0.81 ALDH1A1 (0.46) GPR84ALDH1A1RAB9AMEN1KMT2A
SCHEMBL18409338 0.81 ALDH1A1 (0.46) GPR84ALDH1A1RAB9AMEN1KMT2A
SCHEMBL18409329 0.79 RXRA (0.48) GPR84ALDH1A1RAB9AMEN1KMT2A
SCHEMBL18409568 0.78 GPR84 (0.57) GPR84ALDH1A1RAB9AMEN1KMT2A
SCHEMBL18409339 0.76 HTR6 (0.52) GPR84ALDH1A1RAB9AMEN1KMT2A
SCHEMBL18409330 0.76 PTPN1 (0.46) GPR84ALDH1A1RAB9APTPN1RXRA
SCHEMBL18409693 0.74 LMNA (0.45) RAB9AMEN1KMT2AMAPTCYP3A4
SCHEMBL18409678 0.74 PTPN1 (0.57) GPR84ALDH1A1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844051-B2 Substituted oxazoles for the treatment of cancer THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY 2020-11-24 — — US disclosed
US-20180208586-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2018-07-26 — — US disclosed
WO-2017011920-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2017-01-26 — — 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 (2 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-20180208586-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS VHL, TP53, CD44 GPR84 2974/4885ALDH1A1 325/4885RAB9A 3253/4885
US-10844051-B2 Substituted oxazoles for the treatment of cancer OXA1L, PDCD1, MCL1 GPR84 843/4885ALDH1A1 292/4885RAB9A 4268/4885

“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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