Sugi Predict

Sugi Predict / Compounds / SCHEMBL3579374

SCHEMBL3579374

SCHEMBL3579374

O=C(OCc1ccccc1)c1cccnc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 1.00
▸ L3MBTL1 Q9Y468 5/20 0.81
▸ KMT2A Q03164 4/20 0.71
▸ MEN1 O00255 3/20 0.71
▸ CASP3 P42574 2/20 0.70
▸ SENP8 Q96LD8 2/20 0.70
▸ SENP7 Q9BQF6 2/20 0.70
▸ SENP6 Q9GZR1 2/20 0.70
▸ CYP1A2 P05177 2/20 0.66
▸ CYP2C9 P11712 2/20 0.66
▸ CYP2C19 P33261 2/20 0.66
▸ TSHR P16473 1/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ TDP1 Q9NUW8 3/20 0.62
▸ CYP2D6 P10635 1/20 0.61
▸ PKM P14618 1/20 0.61
▸ RXFP1 Q9HBX9 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.59
▸ EGLN1 Q9GZT9 1/20 0.58
▸ MAPK1 P28482 1/20 0.56

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
SCHEMBL10475552 0.84 POLB (0.72) POLBL3MBTL1KMT2AMEN1CASP3
SCHEMBL13960324 0.83 POLB (0.71) POLBL3MBTL1KMT2AMEN1CASP3
SCHEMBL6266108 0.82 POLB (0.69) POLBL3MBTL1KMT2ACASP3SENP8
SCHEMBL3934134 0.82 POLB (0.69) POLBL3MBTL1KMT2AMEN1CASP3
SCHEMBL28002780 0.82 POLB (0.69) POLBL3MBTL1KMT2AMEN1CASP3
SCHEMBL30142131 0.82 POLB (0.69) POLBL3MBTL1KMT2AMEN1CASP3
SCHEMBL7868326 0.82 POLB (0.69) POLBL3MBTL1KMT2AMEN1CASP3
SCHEMBL15445465 0.82 POLB (0.69) POLBL3MBTL1KMT2AMEN1CASP3
SCHEMBL22258205 0.82 POLB (0.69) POLBL3MBTL1KMT2AMEN1CASP3
SCHEMBL31187261 0.81 POLB (0.67) POLBL3MBTL1KMT2AMEN1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112794844-B Ester compound, preparation method and application thereof, and ester soft medicine 中国科学院上海药物研究所 2023-03-21 — — CN disclosed
CN-112794844-A Ester compound, preparation method and application thereof, and ester soft medicine 中国科学院上海药物研究所 2021-05-14 — — CN disclosed
WO-2018059537-A1 DIAZASPIRO[5.5]UNDECANE DERIVATIVE AND USE THEREOF 四川海思科制药有限公司 2018-04-05 — — WO disclosed
US-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 — — US disclosed
EP-2128136-A1 2-PHENYLNICOTINIC ACID DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2009-12-02 — — EP disclosed
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 — — US disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 — — EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 — — 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 (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-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE XDH, NUDT1, PNPO POLB 2960/4885L3MBTL1 744/4885KMT2A 1478/4885

“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.