SCHEMBL18113449

SCHEMBL18113449

CC(C)Sc1cc([N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
CYP3A4 P08684 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
ALOX15 P16050 1/20 0.54
KMT2A Q03164 5/20 0.52
MAPT P10636 3/20 0.50
HTT P42858 2/20 0.47
TP53 P04637 1/20 0.47
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
RAB9A P51151 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL3861678 0.88 ALDH1A1 (0.62) ALDH1A1CYP3A4TDP1ALOX15KMT2A
SCHEMBL2728411 0.83 ALDH1A1 (0.58) ALDH1A1CYP3A4TDP1ALOX15KMT2A
SCHEMBL28835860 0.83 TP53 (0.52) ALDH1A1CYP3A4TDP1ALOX15KMT2A
SCHEMBL5240597 0.82 ALDH1A1 (0.62) ALDH1A1CYP3A4TDP1ALOX15KMT2A
SCHEMBL19969740 0.81 ALDH1A1 (0.60) ALDH1A1CYP3A4TDP1ALOX15KMT2A
SCHEMBL30309481 0.79 ALDH1A1 (0.54) ALDH1A1CYP3A4TDP1ALOX15KMT2A
SCHEMBL1644599 0.76 ALDH1A1 (0.58) ALDH1A1CYP3A4TDP1ALOX15KMT2A
SCHEMBL7920060 0.76 PDE7A (0.60) ALDH1A1CYP3A4TDP1ALOX15KMT2A
SCHEMBL21939455 0.76 CSNK2A1 (0.47) ALDH1A1ALOX15KMT2AMAPTTP53
SCHEMBL7919799 0.75 PTGES (0.60) ALDH1A1CYP3A4TDP1ALOX15KMT2A

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
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

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 ALDH1A1 317/4885CYP3A4 1529/4885TDP1 1130/4885
US-20250223299-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE SLC10A1, HNMT, OGFR ALDH1A1 317/4885CYP3A4 1529/4885TDP1 1130/4885
US-20200385402-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use SLC10A1, HNMT, OGFR ALDH1A1 317/4885CYP3A4 1529/4885TDP1 1130/4885
US-12297207-B2 Maytansinoid derivatives, conjugates thereof, and methods of use SLC10A1, HNMT, OGFR ALDH1A1 317/4885CYP3A4 1529/4885TDP1 1130/4885
US-20220259225-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use SLC10A1, HNMT, OGFR ALDH1A1 317/4885CYP3A4 1529/4885TDP1 1130/4885

“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.