SCHEMBL4983708

SCHEMBL4983708

Nc1ccc(Oc2ccc(-c3ccc(Cl)cc3)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.86
▸ MAOB P27338 1/20 0.86
▸ ALDH1A1 P00352 7/20 0.64
▸ TDP1 Q9NUW8 3/20 0.64
▸ CYP3A4 P08684 2/20 0.64
▸ TSHR P16473 1/20 0.64
▸ LTA4H P09960 6/20 0.61
▸ MAPT P10636 5/20 0.52
▸ TEAD4 Q15561 1/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ MITF O75030 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ GFER P55789 1/20 0.50
▸ NLRP1 Q9C000 1/20 0.50
▸ NOD2 Q9HC29 1/20 0.50
▸ HPGD P15428 2/20 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
SCHEMBL177721 0.93 MAOA (1.00) MAOAMAOBALDH1A1TDP1CYP3A4
Hydrochloric Acid SCHEMBL11401887 0.91 MAOA (0.95) MAOAMAOBALDH1A1TDP1CYP3A4
SCHEMBL9121691 0.88 MAOA (0.64) MAOAMAOBALDH1A1LTA4HMAPT
SCHEMBL3482671 0.88 ALDH1A1 (0.82) MAOAMAOBALDH1A1TDP1CYP3A4
SCHEMBL1271568 0.88 ALDH1A1 (0.82) MAOAMAOBALDH1A1TDP1CYP3A4
SCHEMBL12098596 0.88 ALDH1A1 (0.82) MAOAMAOBALDH1A1TDP1CYP3A4
SCHEMBL64458 0.88 ALDH1A1 (0.82) MAOAMAOBALDH1A1TDP1CYP3A4
SCHEMBL7144807 0.88 ALDH1A1 (0.82) MAOAMAOBALDH1A1TDP1CYP3A4
SCHEMBL3482529 0.88 ALDH1A1 (0.82) MAOAMAOBALDH1A1TDP1CYP3A4
SCHEMBL8827988 0.88 ALDH1A1 (0.82) MAOAMAOBALDH1A1TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113966324-A NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2022-01-21 — — CN claimed
CN-118994001-A NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2024-11-22 — — CN disclosed
CN-113966324-B NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2024-09-03 — — CN disclosed
US-20220169642-A1 COMPOUNDS FOR THE TREATMENT OF ONCOVIRUS INDUCED CANCER AND METHODS OF USE THEREOF CELLESTIA BIOTECH AG (CH) 2022-06-02 — — US disclosed
US-20220169642-A1 COMPOUNDS FOR THE TREATMENT OF ONCOVIRUS INDUCED CANCER AND METHODS OF USE THEREOF CELLESTIA BIOTECH AG (CH) 2022-06-02 — — US disclosed
CN-113966324-A NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2022-01-21 — — CN disclosed
WO-2020208139-A1 INHIBITORS OF NOTCH SIGNALLING PATHWAY AND USE THEREOF IN TREATMENT OF CANCERS CELLESTIA BIOTECH AG (CH) 2020-10-15 — — WO disclosed
US-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-13 — — US disclosed
US-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-13 — — US disclosed
US-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-13 — — US disclosed
WO-2007092190-A2 METHODS AND COMPOSITIONS FOR MODULATING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ACTIVITY PRAECIS PHARMACEUTICALS, INC. (US) 2007-08-16 — — WO disclosed
US-7241812-B2 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2007-07-10 — — US disclosed
US-7241812-B2 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2007-07-10 — — US disclosed
US-7241812-B2 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2007-07-10 — — US disclosed
EP-1781595-A1 METHODS AND COMPOSITIONS FOR MODULATING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ACTIVITY Praecis Pharmaceuticals Inc. (US) 2007-05-09 — — EP disclosed
US-20060223866-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2006-10-05 — — US disclosed
US-20060135786-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHAMACEUTICALS, INC. (US) 2006-06-22 — — US disclosed
WO-2006020951-A1 METHODS AND COMPOSITIONS FOR MODULATING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ACTIVITY PRAECIS PHARMACEUTICALS, INC. (US) 2006-02-23 — — 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 (4 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-20220169642-A1 COMPOUNDS FOR THE TREATMENT OF ONCOVIRUS INDUCED CANCER AND METHODS OF USE THEREOF NOTCH1, NOTCH4, NOTCH2 MAOA 4859/4885MAOB 4698/4885ALDH1A1 2833/4885
US-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 MAOA 3519/4885MAOB 2920/4885ALDH1A1 3708/4885
US-20060223866-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 MAOA 3519/4885MAOB 2920/4885ALDH1A1 3708/4885
US-20060135786-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 MAOA 3519/4885MAOB 2920/4885ALDH1A1 3708/4885

“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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