SCHEMBL21571848

SCHEMBL21571848

SNc1cccc2c1OCCO2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
MTNR1A P48039 8/20 0.41
ADRB1 P08588 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MRGPRX1 Q96LB2 1/20 0.41
LMNA P02545 2/20 0.40
CRHBP P24387 2/20 0.40
CRHR2 Q13324 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
ABCB1 P08183 1/20 0.39
FLT1 P17948 1/20 0.39
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36

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
SCHEMBL2504920 0.80 ITGB2 (0.44) ITGB2ICAM1ITGALMTNR1AADRB1
SCHEMBL8306057 0.80 MTNR1A (0.45) ITGB2ICAM1ITGALMTNR1AADRB1
Hydrochloric Acid SCHEMBL2461132 0.78 MTNR1A (0.44) ITGB2ICAM1ITGALMTNR1AADRB1
SCHEMBL21571866 0.76 MTNR1A (0.42) ITGB2ICAM1ITGALMTNR1AADRB1
SCHEMBL15650620 0.76 MTNR1A (0.45) ITGB2ICAM1ITGALMTNR1A
SCHEMBL16703460 0.74 MRGPRX1 (0.52) MTNR1AKDM4EMRGPRX1LMNASMN1; SMN2
SCHEMBL6114083 0.73 MRGPRX1 (0.45) ITGB2ICAM1ITGALMTNR1AKDM4E
SCHEMBL2961606 0.73 MTNR1A (0.57) MTNR1AKDM4EMRGPRX1ABCB1FLT1
SCHEMBL24312061 0.72 ITGB2 (0.50) ITGB2ICAM1ITGALMTNR1AADRB1
SCHEMBL22421809 0.72 MTNR1A (0.42) MTNR1AMRGPRX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3151669-B1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-10-28 EP disclosed
US-10479793-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses BRISTOL-MYERS SQUIBB COMPANY (US) 2019-11-19 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-10479793-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses TYK2, IL2, JAK3 ITGB2 1154/4885ICAM1 2833/4885ITGAL 1982/4885

“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.