SCHEMBL7744994

SCHEMBL7744994

O=C(O)c1cc(F)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
DTYMK P23919 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.42
ESPL1 Q14674 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
ALDH1A1 P00352 2/20 0.41
VCAM1 P19320 2/20 0.41
CYP3A4 P08684 1/20 0.41
HIF1A Q16665 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TTR P02766 1/20 0.40
PPOX P50336 1/20 0.40
LMNA P02545 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
SCHEMBL1014802 0.93 TSHR (0.44) TSHRKEAP1NFE2L2NPC1RAB9A
Hydrochloric Acid SCHEMBL3983490 0.92 TSHR (0.42) TSHRKEAP1NFE2L2NPC1RAB9A
SCHEMBL7752178 0.86 DTYMK (0.46) TSHRKEAP1NFE2L2NPC1RAB9A
SCHEMBL1790306 0.85 TSHR (0.49) TSHRDTYMKTDP1ALDH1A1VCAM1
SCHEMBL7744988 0.85 CA12 (0.46) NPC1RAB9ATDP1ATMESPL1
SCHEMBL31094840 0.85 CA12 (0.46) NPC1RAB9ATDP1ATMESPL1
SCHEMBL1020420 0.84 DTYMK (0.46) TSHRDTYMKTDP1ATMESPL1
SCHEMBL13948939 0.84 DTYMK (0.50) TSHRDTYMKTDP1ATMESPL1
SCHEMBL7749601 0.84 ALDH1A1 (0.53) TSHRDTYMKALDH1A1VCAM1CYP3A4
Benzoic Acid SCHEMBL25317758 0.84 VCAM1 (0.49) TSHRNPC1RAB9ATDP1AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5294721-A Reacting a halonitrobenzene and a pyridinium salt ABBOTT LABORATORIES (US) 1994-03-15 US claimed
US-20250223299-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2025-07-10 US disclosed
US-12297207-B2 Maytansinoid derivatives, conjugates thereof, and methods of use REGENERON PHARMACEUTICALS, INC. (US) 2025-05-13 US disclosed
CN-115645543-A Maytansinoid derivatives, conjugates thereof, and methods of use 里珍纳龙药品有限公司 2023-01-31 CN disclosed
US-20220259225-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use REGENERON PHARMACEUTICALS, INC. 2022-08-18 US disclosed
US-20200385402-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use REGENERON PHARMACEUTICALS, INC. 2020-12-10 US disclosed
EP-3273998-B1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMA (US) 2019-09-04 EP disclosed
EP-3273998-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE Regeneron Pharmaceuticals, Inc. (US) 2018-01-31 EP disclosed
US-20160375147-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2016-12-29 US disclosed
WO-2016160615-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. (US) 2016-10-06 WO disclosed
US-5633399-A Process for the preparation of fluorinated benzoic acids ABBOTT LABORATORIES (US) 1997-05-27 US disclosed
EP-0655997-B1 PYRIDINIUM INTERMEDIATES AND THE PROCESS FOR PREPARING THE SAME ABBOTT LAB (US) 1997-02-12 EP disclosed
US-5576455-A Process for the preparation of fluorinated benzoic acids ABBOTT LABORATORIES (US) 1996-11-19 US disclosed
EP-0655997-A1 PYRIDINIUM INTERMEDIATES AND THE PROCESS FOR PREPARING THE SAME. ABBOTT LAB (US) 1995-06-07 EP disclosed
EP-0655997-A4 PYRIDINIUM INTERMEDIATES AND THE PROCESS FOR PREPARING THE SAME. ABBOTT LAB (US) 1995-02-10 EP disclosed
EP-0610384-A4 PROCESS FOR THE PREPARATION OF FLUORINATED BENZOIC ACIDS. ABBOTT LAB (US) 1995-01-25 EP disclosed
EP-0610384-A1 PROCESS FOR THE PREPARATION OF FLUORINATED BENZOIC ACIDS. ABBOTT LAB (US) 1994-08-17 EP disclosed
US-5294721-A Reacting a halonitrobenzene and a pyridinium salt ABBOTT LABORATORIES (US) 1994-03-15 US disclosed
WO-1994004502-A1 PYRIDINIUM INTERMEDIATES AND THE PROCESS FOR PREPARING THE SAME ABBOTT LABORATORIES (US) 1994-03-03 WO disclosed
WO-1993009077-A2 PROCESS FOR THE PREPARATION OF FLUORINATED BENZOIC ACIDS ABBOTT LABORATORIES (US) 1993-05-13 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 (5 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-20160375147-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE SLC10A1, HNMT, OGFR TSHR 1150/4885KEAP1 968/4885NFE2L2 1774/4885
US-20250223299-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE SLC10A1, HNMT, OGFR TSHR 1150/4885KEAP1 968/4885NFE2L2 1774/4885
US-20200385402-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use SLC10A1, HNMT, OGFR TSHR 1150/4885KEAP1 968/4885NFE2L2 1774/4885
US-12297207-B2 Maytansinoid derivatives, conjugates thereof, and methods of use SLC10A1, HNMT, OGFR TSHR 1150/4885KEAP1 968/4885NFE2L2 1774/4885
US-20220259225-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use SLC10A1, HNMT, OGFR TSHR 1150/4885KEAP1 968/4885NFE2L2 1774/4885

“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.