SCHEMBL19127229

SCHEMBL19127229

O=C(Nc1c(F)cccc1F)c1cn(Cc2c(Cl)cccc2Cl)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 5/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ PDE4A P27815 7/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ NOD2 Q9HC29 1/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ MAPT P10636 3/20 0.48
▸ PDE7A Q13946 7/20 0.46
▸ POLB P06746 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ RCE1 Q9Y256 1/20 0.46

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
SCHEMBL29735646 1.00 HTT (0.54) HTTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL29735513 0.90 NPC1 (0.59) HTTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL19127904 0.90 NPC1 (0.59) HTTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL29735643 0.86 HTT (0.57) HTTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL19127879 0.86 HTT (0.57) HTTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL29735586 0.84 NPC1 (0.52) HTTALDH1A1SMN1; SMN2PDE4ANPC1
SCHEMBL29735588 0.84 NPC1 (0.52) HTTALDH1A1SMN1; SMN2PDE4ANPC1
SCHEMBL19128520 0.84 NPC1 (0.52) HTTALDH1A1SMN1; SMN2PDE4ANPC1
SCHEMBL24437306 0.81 CNR1 (0.52) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL24437193 0.79 CNR1 (0.55) HTTALDH1A1SMN1; SMN2CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108602775-B Mast cell modulators and uses thereof 贝思以色列女会吏医学中心公司 2022-04-29 — — CN disclosed
US-11084789-B2 Mast-cell modulators and uses thereof BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2021-08-10 — — US disclosed
US-11084789-B2 Mast-cell modulators and uses thereof BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2021-08-10 — — US disclosed
US-20200148638-A1 MAST-CELL MODULATORS AND USES THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2020-05-14 — — US disclosed
US-20190016680-A1 MAST-CELL MODULATORS AND USES THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2019-01-17 — — US disclosed
US-20190016680-A1 MAST-CELL MODULATORS AND USES THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2019-01-17 — — US disclosed
EP-3402780-A1 MAST-CELL MODULATORS AND USES THEREOF Beth Israel Deaconess Medical Center, Inc. (US) 2018-11-21 — — EP disclosed
WO-2017123826-A1 MAST-CELL MODULATORS AND USES THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2017-07-20 — — WO disclosed
WO-2017123826-A1 MAST-CELL MODULATORS AND USES THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2017-07-20 — — 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 (3 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-11084789-B2 Mast-cell modulators and uses thereof KIT, CPA3, CMA1 HTT 4602/4885ALDH1A1 1074/4885SMN1; SMN2 3936/4885
US-20190016680-A1 MAST-CELL MODULATORS AND USES THEREOF KIT, CPA3, CMA1 HTT 4600/4885ALDH1A1 1246/4885SMN1; SMN2 4037/4885
US-20200148638-A1 MAST-CELL MODULATORS AND USES THEREOF KIT, CPA3, CMA1 HTT 4602/4885ALDH1A1 1074/4885SMN1; SMN2 3936/4885

“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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