SCHEMBL24437265

SCHEMBL24437265

O=C(Nc1c(F)cncc1F)c1ccn(CC2CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.39
▸ NPC1 O15118 6/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HIF1A Q16665 3/20 0.37
▸ GAA P10253 1/20 0.37
▸ DHFR P00374 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ CRHR1 P34998 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ MAPK7 Q13164 1/20 0.35
▸ F10 P00742 1/20 0.35

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
SCHEMBL24437167 0.89 NPC1 (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL24437269 0.86 HIF1A (0.42) RAB9ANPC1SMN1; SMN2TSHRHIF1A
SCHEMBL24437201 0.78 STIM1 (0.47) RAB9ANPC1SMN1; SMN2TSHRALDH1A1
SCHEMBL24437381 0.77 KDM1A (0.43) ALDH1A1MAPTCRHR1ABCB11PDE4A
SCHEMBL24437152 0.76 NPC1 (0.44) RAB9ANPC1SMN1; SMN2TSHRALDH1A1
SCHEMBL24437207 0.73 CRACR2A (0.45) RAB9ANPC1SMN1; SMN2TSHRALDH1A1
SCHEMBL17438083 0.72 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1POLBCRHR1CYP1A2
SCHEMBL2827007 0.71 POLB (0.37) SMN1; SMN2ALDH1A1POLBCRHR1
SCHEMBL17065278 0.71 KMT2A (0.40) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL17437913 0.71 KMT2A (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153735-A1 Orai Channel Inhibitors BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2022-05-19 — — 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-20220153735-A1 Orai Channel Inhibitors ORAI2, ORAI1, ORAI3 RAB9A 1863/4885NPC1 408/4885SMN1; SMN2 2776/4885

“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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