Sugi Predict

Sugi Predict / Compounds / SCHEMBL9849650

SCHEMBL9849650

SCHEMBL9849650

O=C(Cl)c1cccc(F)c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ TSHR P16473 3/20 0.42
▸ MAPT P10636 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CES2 O00748 2/20 0.41
▸ CES1 P23141 2/20 0.41
▸ BCHE P06276 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ GPR35 Q9HC97 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GMNN O75496 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TTR P02766 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL10789939 0.87 ALDH1A1 (0.48) ALDH1A1ALOX15TSHRMAPTSMN1; SMN2
SCHEMBL940162 0.85 ALB (0.55) ALDH1A1ALOX15TSHRMAPTRAB9A
SCHEMBL3072736 0.85 ALB (0.55) ALDH1A1ALOX15TSHRMAPTRAB9A
SCHEMBL20560239 0.84 ALDH1A1 (0.40) ALDH1A1ALOX15TSHRMAPTRAB9A
SCHEMBL14854036 0.82 MAPT (0.45) ALDH1A1TSHRMAPTRAB9ANPC1
SCHEMBL4694814 0.82 RAB9A (0.43) ALDH1A1TSHRMAPTRAB9ANPC1
SCHEMBL6998574 0.81 MAPT (0.43) ALDH1A1TSHRMAPTRAB9ANPC1
SCHEMBL267327 0.80 GPR35 (0.56) ALDH1A1TSHRTDP1GPR35MEN1
SCHEMBL31441001 0.80 ALDH1A1 (0.45) ALDH1A1TSHRRAB9ANPC1SMN1; SMN2
SCHEMBL16955059 0.80 ALDH1A1 (0.44) ALDH1A1TSHRMAPTRAB9ANPC1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108698982-B Fluorine atom-containing compound and use thereof 日产化学工业株式会社 2021-07-16 — — CN disclosed
EP-3404017-B1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL IND LTD (JP) 2020-05-13 — — EP disclosed
US-10590287-B2 Charge-transporting varnish and organic electroluminescent element NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2020-03-17 — — US disclosed
EP-3252840-B1 VARNISH FOR FORMATION OF CHARGE-TRANSPORTING THIN FILM NISSAN CHEMICAL CORP (JP) 2020-03-11 — — EP disclosed
CN-107710440-B Charge-transporting varnish and organic electroluminescent element 日产化学工业株式会社 2019-12-24 — — CN disclosed
CN-106132923-B Oligoaniline derivative, charge-transporting varnish and organic electroluminescent device 日产化学工业株式会社 2019-11-15 — — CN disclosed
CN-107210377-B Varnish for forming charge-transporting thin film 日产化学工业株式会社 2019-07-05 — — CN disclosed
US-10336686-B2 Fluorine atom-containing compound and use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-07-02 — — US disclosed
US-10301484-B2 Varnish for formation of charge-transporting thin film NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-05-28 — — US disclosed
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-01-31 — — US disclosed
US-20160248018-A1 ARYLSULFONIC ACID COMPOUND, USE THEREOF, AND METHOD FOR PRODUCING ARYLSULFONIC ACID COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-25 — — US disclosed
EP-3056484-A1 ARYLSULFONIC ACID COMPOUND, USE THEREOF, AND METHOD FOR PRODUCING ARYLSULFONIC ACID COMPOUND Nissan Chemical Industries, Ltd. (JP) 2016-08-17 — — EP disclosed
CN-105612146-A Arylsulfonic acid compound, use thereof, and method for producing arylsulfonic acid compound NISSAN CHEMICAL IND LTD 2016-05-25 — — CN disclosed
CN-103784458-B Phenylalamine derivatives AJINOMOTO K. K. (JP) 2015-10-14 — — CN disclosed
CN-1917881-B Novel phenylalanine derivatives AJINOMOTO KK 2014-11-26 — — CN disclosed
CN-103784458-A Novel phenylalanine derivatives AJINOMOTO KK 2014-05-14 — — CN disclosed
WO-2013050527-A1 QUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2013-04-11 — — WO disclosed
CN-1152014-C N-aryl (thio) anthranilic acid amide derivatives, their prepn. and their use as VEGF receptor tyrosine kinase inhibitors ��˹��ŵ�� 2004-06-02 — — CN disclosed
CN-1331680-A N-aryl (thio) anthranilic acid amide derivatives, their prepn. and their use as VEGF receptor tyrosine kinase inhibitors NOVARTIS AG (CH) 2002-01-16 — — CN disclosed
EP-0418175-A2 Isoxazoles herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1991-03-20 — — EP 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-10336686-B2 Fluorine atom-containing compound and use thereof ARF1, ARF5, ARFGAP1 ALDH1A1 982/4885ALOX15 3253/4885TSHR 668/4885
US-10590287-B2 Charge-transporting varnish and organic electroluminescent element SLCO4C1, SLCO2A1, SLC26A3 ALDH1A1 378/4885ALOX15 4037/4885TSHR 1837/4885
US-20160248018-A1 ARYLSULFONIC ACID COMPOUND, USE THEREOF, AND METHOD FOR PRODUCING ARYLSULFONIC ACID COMPOUND ARSA, SULT2A1, SULT1A1 ALDH1A1 132/4885ALOX15 485/4885TSHR 750/4885
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF ARF1, ARF5, ARFGAP1 ALDH1A1 982/4885ALOX15 3253/4885TSHR 668/4885

“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.